SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/tRNASec-976176a4/inputs/seq.fa: 1
curr_seq: _GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAAGAUCGUCGUCUCCGGUGAGGCGGCUGGACUUCAAAUCCAGUUGGGGCCGCCAGCGGUCCCGGGCAGGUUCGACUCCUGUGAUCUUCCGCCA
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 95 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 480
n_atoms_counter: 480
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 95.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -374.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.897067 (E_RNA)
where:
Base-Base interactions energy: -4.901
where: short stacking energy: -4.901
Base-Backbone interact. energy: -0.000
local terms energy: -369.996331
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -85.887
flat angles C4'-P-C4' energy: -69.751
flat angles P-C4'-P energy: -79.788
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -515.834848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.834848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.834848 (E_RNA)
where:
Base-Base interactions energy: -245.054
where: short stacking energy: -231.775
Base-Backbone interact. energy: -2.434
local terms energy: -268.347376
where:
bonds (distance) C4'-P energy: -65.288
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -44.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -518.741415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.741415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.741415 (E_RNA)
where:
Base-Base interactions energy: -239.025
where: short stacking energy: -234.661
Base-Backbone interact. energy: -0.087
local terms energy: -279.629859
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -54.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -478.078654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.078654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.078654 (E_RNA)
where:
Base-Base interactions energy: -224.474
where: short stacking energy: -202.172
Base-Backbone interact. energy: -0.393
local terms energy: -253.211663
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -443.537588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.537588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.537588 (E_RNA)
where:
Base-Base interactions energy: -199.491
where: short stacking energy: -184.690
Base-Backbone interact. energy: -0.559
local terms energy: -243.487561
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -63.984
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -38.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -409.158533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.158533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.158533 (E_RNA)
where:
Base-Base interactions energy: -174.261
where: short stacking energy: -168.766
Base-Backbone interact. energy: -0.054
local terms energy: -234.844146
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -380.431385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.431385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.431385 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.000
local terms energy: -335.431850
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -74.236
flat angles C4'-P-C4' energy: -70.447
flat angles P-C4'-P energy: -73.934
tors. eta vs tors. theta energy: -41.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -381.715102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.715102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.715102 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.000
local terms energy: -353.116988
where:
bonds (distance) C4'-P energy: -84.020
bonds (distance) P-C4' energy: -81.624
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -76.784
tors. eta vs tors. theta energy: -41.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -378.752252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.752252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.752252 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.000
local terms energy: -353.435903
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -77.385
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -77.749
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -379.471015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.471015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.471015 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.000
local terms energy: -350.113284
where:
bonds (distance) C4'-P energy: -83.392
bonds (distance) P-C4' energy: -76.006
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -76.811
tors. eta vs tors. theta energy: -43.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -375.942923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.942923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.942923 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.000
local terms energy: -353.845180
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -77.851
tors. eta vs tors. theta energy: -42.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -569.208562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.208562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.208562 (E_RNA)
where:
Base-Base interactions energy: -263.525
where: short stacking energy: -228.518
Base-Backbone interact. energy: -0.530
local terms energy: -305.153437
where:
bonds (distance) C4'-P energy: -68.184
bonds (distance) P-C4' energy: -64.902
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -60.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -560.238666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.238666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.238666 (E_RNA)
where:
Base-Base interactions energy: -301.442
where: short stacking energy: -221.877
Base-Backbone interact. energy: -1.073
local terms energy: -257.723998
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -568.776522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.776522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.776522 (E_RNA)
where:
Base-Base interactions energy: -323.193
where: short stacking energy: -204.447
Base-Backbone interact. energy: 0.517
local terms energy: -246.099845
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -64.644
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -425.054248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.054248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.054248 (E_RNA)
where:
Base-Base interactions energy: -200.548
where: short stacking energy: -187.458
Base-Backbone interact. energy: 0.957
local terms energy: -225.463434
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -55.322
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -400.527848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.527848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.527848 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -157.798
Base-Backbone interact. energy: -0.380
local terms energy: -227.723316
where:
bonds (distance) C4'-P energy: -49.079
bonds (distance) P-C4' energy: -56.129
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -30.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -452.576676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.576676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.576676 (E_RNA)
where:
Base-Base interactions energy: -225.033
where: short stacking energy: -145.756
Base-Backbone interact. energy: 0.178
local terms energy: -227.721697
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -56.990
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -364.448374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.448374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.448374 (E_RNA)
where:
Base-Base interactions energy: -173.697
where: short stacking energy: -122.238
Base-Backbone interact. energy: -0.064
local terms energy: -190.686635
where:
bonds (distance) C4'-P energy: -47.570
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -320.190075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.190075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.190075 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -75.569
Base-Backbone interact. energy: 1.490
local terms energy: -185.900974
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -58.573
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -312.065584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.065584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.065584 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -93.886
Base-Backbone interact. energy: 1.321
local terms energy: -178.917906
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -353.397410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.397410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.397410 (E_RNA)
where:
Base-Base interactions energy: -164.502
where: short stacking energy: -90.613
Base-Backbone interact. energy: -0.603
local terms energy: -188.292375
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -614.752621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.752621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.752621 (E_RNA)
where:
Base-Base interactions energy: -311.819
where: short stacking energy: -227.238
Base-Backbone interact. energy: -0.294
local terms energy: -302.639380
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -61.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -550.050507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.050507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.050507 (E_RNA)
where:
Base-Base interactions energy: -272.045
where: short stacking energy: -203.195
Base-Backbone interact. energy: -1.402
local terms energy: -276.603091
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -48.434
tors. eta vs tors. theta energy: -54.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -630.897087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.897087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.897087 (E_RNA)
where:
Base-Base interactions energy: -364.518
where: short stacking energy: -214.988
Base-Backbone interact. energy: -0.586
local terms energy: -265.793338
where:
bonds (distance) C4'-P energy: -64.327
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -56.934
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -41.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -498.336613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.336613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.336613 (E_RNA)
where:
Base-Base interactions energy: -266.067
where: short stacking energy: -183.331
Base-Backbone interact. energy: -0.726
local terms energy: -231.543081
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -53.268
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -552.804965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.804965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.804965 (E_RNA)
where:
Base-Base interactions energy: -330.862
where: short stacking energy: -162.048
Base-Backbone interact. energy: -0.008
local terms energy: -221.935394
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -61.383
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -419.599622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.599622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.599622 (E_RNA)
where:
Base-Base interactions energy: -222.203
where: short stacking energy: -132.316
Base-Backbone interact. energy: -0.712
local terms energy: -196.684460
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -61.000
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -429.045552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.045552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.045552 (E_RNA)
where:
Base-Base interactions energy: -202.812
where: short stacking energy: -158.450
Base-Backbone interact. energy: -2.032
local terms energy: -224.201017
where:
bonds (distance) C4'-P energy: -58.491
bonds (distance) P-C4' energy: -52.946
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -358.662828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.662828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.662828 (E_RNA)
where:
Base-Base interactions energy: -168.330
where: short stacking energy: -111.289
Base-Backbone interact. energy: -0.192
local terms energy: -190.141242
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -387.675762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.675762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.675762 (E_RNA)
where:
Base-Base interactions energy: -205.893
where: short stacking energy: -118.259
Base-Backbone interact. energy: 0.783
local terms energy: -182.566241
where:
bonds (distance) C4'-P energy: -58.295
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -290.397249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.397249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.397249 (E_RNA)
where:
Base-Base interactions energy: -138.382
where: short stacking energy: -97.173
Base-Backbone interact. energy: 0.876
local terms energy: -152.890555
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -634.823287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.823287 (E_RNA)
where:
Base-Base interactions energy: -337.638
where: short stacking energy: -247.766
Base-Backbone interact. energy: -1.184
local terms energy: -296.001498
where:
bonds (distance) C4'-P energy: -66.442
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -53.837
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -69.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -748.280700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.280700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.280700 (E_RNA)
where:
Base-Base interactions energy: -474.946
where: short stacking energy: -248.609
Base-Backbone interact. energy: 0.952
local terms energy: -274.285778
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -64.123
flat angles C4'-P-C4' energy: -58.437
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -54.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -547.788178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.788178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.788178 (E_RNA)
where:
Base-Base interactions energy: -289.814
where: short stacking energy: -217.321
Base-Backbone interact. energy: 1.434
local terms energy: -259.407643
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -686.669154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.669154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.669154 (E_RNA)
where:
Base-Base interactions energy: -423.973
where: short stacking energy: -205.983
Base-Backbone interact. energy: -0.218
local terms energy: -262.478393
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -61.912
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -55.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -513.446897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.446897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.446897 (E_RNA)
where:
Base-Base interactions energy: -298.263
where: short stacking energy: -168.762
Base-Backbone interact. energy: -0.017
local terms energy: -215.167139
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -466.157833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.157833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.157833 (E_RNA)
where:
Base-Base interactions energy: -246.842
where: short stacking energy: -144.701
Base-Backbone interact. energy: 0.159
local terms energy: -219.475375
where:
bonds (distance) C4'-P energy: -51.060
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -413.153787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.153787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.153787 (E_RNA)
where:
Base-Base interactions energy: -218.321
where: short stacking energy: -140.198
Base-Backbone interact. energy: 2.837
local terms energy: -197.669116
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -44.530
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -457.496923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.496923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.496923 (E_RNA)
where:
Base-Base interactions energy: -250.934
where: short stacking energy: -145.851
Base-Backbone interact. energy: -0.680
local terms energy: -205.882942
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -339.971595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.971595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.971595 (E_RNA)
where:
Base-Base interactions energy: -176.183
where: short stacking energy: -106.671
Base-Backbone interact. energy: 3.102
local terms energy: -166.890080
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -290.833961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.833961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.833961 (E_RNA)
where:
Base-Base interactions energy: -118.062
where: short stacking energy: -80.907
Base-Backbone interact. energy: -0.036
local terms energy: -172.736485
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -791.290716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.290716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.290716 (E_RNA)
where:
Base-Base interactions energy: -508.228
where: short stacking energy: -233.274
Base-Backbone interact. energy: -0.148
local terms energy: -282.915053
where:
bonds (distance) C4'-P energy: -58.837
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -63.473
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -56.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -633.900248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.900248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.900248 (E_RNA)
where:
Base-Base interactions energy: -354.038
where: short stacking energy: -211.315
Base-Backbone interact. energy: 1.146
local terms energy: -281.008384
where:
bonds (distance) C4'-P energy: -65.205
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -54.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -722.409117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.409117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.409117 (E_RNA)
where:
Base-Base interactions energy: -456.467
where: short stacking energy: -238.409
Base-Backbone interact. energy: -2.187
local terms energy: -263.755646
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -63.700
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -62.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -517.039741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.039741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.039741 (E_RNA)
where:
Base-Base interactions energy: -272.859
where: short stacking energy: -174.609
Base-Backbone interact. energy: -1.951
local terms energy: -242.229868
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -520.957425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.957425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.957425 (E_RNA)
where:
Base-Base interactions energy: -305.405
where: short stacking energy: -161.755
Base-Backbone interact. energy: 1.818
local terms energy: -217.370701
where:
bonds (distance) C4'-P energy: -57.146
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -480.721359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.721359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.721359 (E_RNA)
where:
Base-Base interactions energy: -247.498
where: short stacking energy: -180.985
Base-Backbone interact. energy: -1.425
local terms energy: -231.798839
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -466.253083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.253083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.253083 (E_RNA)
where:
Base-Base interactions energy: -257.414
where: short stacking energy: -126.052
Base-Backbone interact. energy: -0.490
local terms energy: -208.349174
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -424.997268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.997268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.997268 (E_RNA)
where:
Base-Base interactions energy: -219.542
where: short stacking energy: -138.817
Base-Backbone interact. energy: -0.681
local terms energy: -204.774514
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -49.942
flat angles C4'-P-C4' energy: -45.345
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -322.745359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.745359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.745359 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -105.381
Base-Backbone interact. energy: 2.753
local terms energy: -176.999251
where:
bonds (distance) C4'-P energy: -43.714
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -38.136
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -269.699348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.699348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.699348 (E_RNA)
where:
Base-Base interactions energy: -111.873
where: short stacking energy: -92.643
Base-Backbone interact. energy: 1.607
local terms energy: -159.433055
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -40.498
flat angles P-C4'-P energy: -18.271
tors. eta vs tors. theta energy: 8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -822.841282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.841282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.841282 (E_RNA)
where:
Base-Base interactions energy: -520.786
where: short stacking energy: -267.829
Base-Backbone interact. energy: -0.684
local terms energy: -301.372098
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -68.257
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -71.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -772.662015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.662015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.662015 (E_RNA)
where:
Base-Base interactions energy: -488.920
where: short stacking energy: -232.181
Base-Backbone interact. energy: -1.523
local terms energy: -282.219094
where:
bonds (distance) C4'-P energy: -57.828
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -65.740
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -55.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -596.920378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.920378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.920378 (E_RNA)
where:
Base-Base interactions energy: -341.556
where: short stacking energy: -220.885
Base-Backbone interact. energy: -1.734
local terms energy: -253.630082
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -64.572
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -61.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -576.526055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.526055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.526055 (E_RNA)
where:
Base-Base interactions energy: -328.134
where: short stacking energy: -179.182
Base-Backbone interact. energy: -1.493
local terms energy: -246.899190
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -495.408601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.408601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.408601 (E_RNA)
where:
Base-Base interactions energy: -266.248
where: short stacking energy: -176.164
Base-Backbone interact. energy: -1.029
local terms energy: -228.132015
where:
bonds (distance) C4'-P energy: -51.756
bonds (distance) P-C4' energy: -56.316
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -34.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -561.956329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.956329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.956329 (E_RNA)
where:
Base-Base interactions energy: -317.289
where: short stacking energy: -172.987
Base-Backbone interact. energy: 0.348
local terms energy: -245.015137
where:
bonds (distance) C4'-P energy: -62.504
bonds (distance) P-C4' energy: -53.645
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -34.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -450.592141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.592141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.592141 (E_RNA)
where:
Base-Base interactions energy: -243.766
where: short stacking energy: -151.434
Base-Backbone interact. energy: 1.546
local terms energy: -208.371914
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -53.297
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -429.216561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.216561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.216561 (E_RNA)
where:
Base-Base interactions energy: -247.241
where: short stacking energy: -132.957
Base-Backbone interact. energy: 1.517
local terms energy: -183.492593
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -364.772854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.772854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.772854 (E_RNA)
where:
Base-Base interactions energy: -188.361
where: short stacking energy: -128.460
Base-Backbone interact. energy: -0.531
local terms energy: -175.880218
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -42.802
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -278.323765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.323765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.323765 (E_RNA)
where:
Base-Base interactions energy: -117.162
where: short stacking energy: -85.740
Base-Backbone interact. energy: 1.669
local terms energy: -162.831005
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: 7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -828.514250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.514250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.514250 (E_RNA)
where:
Base-Base interactions energy: -559.465
where: short stacking energy: -271.721
Base-Backbone interact. energy: 2.839
local terms energy: -271.887601
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -61.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -758.191189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.191189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.191189 (E_RNA)
where:
Base-Base interactions energy: -458.934
where: short stacking energy: -248.986
Base-Backbone interact. energy: -0.774
local terms energy: -298.483124
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -67.023
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -61.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -649.173368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.173368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.173368 (E_RNA)
where:
Base-Base interactions energy: -386.525
where: short stacking energy: -218.595
Base-Backbone interact. energy: -1.352
local terms energy: -261.296348
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -60.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -598.273405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.273405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.273405 (E_RNA)
where:
Base-Base interactions energy: -339.955
where: short stacking energy: -216.720
Base-Backbone interact. energy: -1.571
local terms energy: -256.746874
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -50.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -633.608134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.608134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.608134 (E_RNA)
where:
Base-Base interactions energy: -386.930
where: short stacking energy: -190.334
Base-Backbone interact. energy: -2.299
local terms energy: -244.378999
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -486.929982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.929982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.929982 (E_RNA)
where:
Base-Base interactions energy: -254.491
where: short stacking energy: -144.436
Base-Backbone interact. energy: -0.949
local terms energy: -231.490069
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -53.953
flat angles C4'-P-C4' energy: -56.456
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -455.905840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.905840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.905840 (E_RNA)
where:
Base-Base interactions energy: -261.619
where: short stacking energy: -124.823
Base-Backbone interact. energy: -1.306
local terms energy: -192.980738
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -50.701
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -409.967254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.967254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.967254 (E_RNA)
where:
Base-Base interactions energy: -225.606
where: short stacking energy: -136.663
Base-Backbone interact. energy: -0.850
local terms energy: -183.510726
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -48.874
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -342.081001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.081001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.081001 (E_RNA)
where:
Base-Base interactions energy: -161.063
where: short stacking energy: -101.512
Base-Backbone interact. energy: -0.794
local terms energy: -180.223796
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -283.442527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.442527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.442527 (E_RNA)
where:
Base-Base interactions energy: -122.199
where: short stacking energy: -77.728
Base-Backbone interact. energy: 2.662
local terms energy: -163.905452
where:
bonds (distance) C4'-P energy: -48.585
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: 4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -821.478273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.478273 (E_RNA)
where:
Base-Base interactions energy: -525.682
where: short stacking energy: -241.704
Base-Backbone interact. energy: -2.395
local terms energy: -293.401578
where:
bonds (distance) C4'-P energy: -65.116
bonds (distance) P-C4' energy: -65.229
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -36.529
tors. eta vs tors. theta energy: -61.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -764.458956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.458956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.458956 (E_RNA)
where:
Base-Base interactions energy: -473.339
where: short stacking energy: -234.308
Base-Backbone interact. energy: -0.845
local terms energy: -290.274651
where:
bonds (distance) C4'-P energy: -62.368
bonds (distance) P-C4' energy: -66.761
flat angles C4'-P-C4' energy: -56.760
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -61.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -690.352432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.352432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.352432 (E_RNA)
where:
Base-Base interactions energy: -436.279
where: short stacking energy: -226.807
Base-Backbone interact. energy: -1.200
local terms energy: -252.873280
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -63.939
flat angles C4'-P-C4' energy: -49.116
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: -44.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -596.115850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.115850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.115850 (E_RNA)
where:
Base-Base interactions energy: -351.019
where: short stacking energy: -172.610
Base-Backbone interact. energy: 1.311
local terms energy: -246.408331
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -40.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -639.692775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.692775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.692775 (E_RNA)
where:
Base-Base interactions energy: -383.905
where: short stacking energy: -191.799
Base-Backbone interact. energy: 1.314
local terms energy: -257.102072
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -519.374077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.374077 (E_RNA)
where:
Base-Base interactions energy: -311.126
where: short stacking energy: -143.358
Base-Backbone interact. energy: 4.148
local terms energy: -212.395309
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -45.216
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -444.254124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.254124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.254124 (E_RNA)
where:
Base-Base interactions energy: -230.277
where: short stacking energy: -148.826
Base-Backbone interact. energy: -0.237
local terms energy: -213.740142
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -60.776
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -382.297759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.297759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.297759 (E_RNA)
where:
Base-Base interactions energy: -169.102
where: short stacking energy: -118.823
Base-Backbone interact. energy: 2.306
local terms energy: -215.501482
where:
bonds (distance) C4'-P energy: -45.292
bonds (distance) P-C4' energy: -65.854
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -39.290
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -406.519472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.519472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.519472 (E_RNA)
where:
Base-Base interactions energy: -225.280
where: short stacking energy: -114.810
Base-Backbone interact. energy: -0.267
local terms energy: -180.971833
where:
bonds (distance) C4'-P energy: -41.378
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -53.960
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -263.882184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.882184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.882184 (E_RNA)
where:
Base-Base interactions energy: -95.706
where: short stacking energy: -77.464
Base-Backbone interact. energy: 0.162
local terms energy: -168.338338
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -846.222289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.222289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.222289 (E_RNA)
where:
Base-Base interactions energy: -549.391
where: short stacking energy: -282.798
Base-Backbone interact. energy: -1.939
local terms energy: -294.893037
where:
bonds (distance) C4'-P energy: -53.531
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: -74.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -770.626663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.626663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.626663 (E_RNA)
where:
Base-Base interactions energy: -490.719
where: short stacking energy: -237.678
Base-Backbone interact. energy: -0.219
local terms energy: -279.688937
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -58.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -722.102566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.102566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.102566 (E_RNA)
where:
Base-Base interactions energy: -450.785
where: short stacking energy: -215.362
Base-Backbone interact. energy: 0.559
local terms energy: -271.876654
where:
bonds (distance) C4'-P energy: -56.058
bonds (distance) P-C4' energy: -63.790
flat angles C4'-P-C4' energy: -69.523
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -48.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -598.308532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.308532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.308532 (E_RNA)
where:
Base-Base interactions energy: -344.137
where: short stacking energy: -194.945
Base-Backbone interact. energy: -1.623
local terms energy: -252.548088
where:
bonds (distance) C4'-P energy: -60.686
bonds (distance) P-C4' energy: -56.207
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -585.033987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.033987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.033987 (E_RNA)
where:
Base-Base interactions energy: -346.680
where: short stacking energy: -175.650
Base-Backbone interact. energy: -0.906
local terms energy: -237.448539
where:
bonds (distance) C4'-P energy: -55.265
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -38.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -538.163825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.163825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.163825 (E_RNA)
where:
Base-Base interactions energy: -333.287
where: short stacking energy: -155.123
Base-Backbone interact. energy: -2.129
local terms energy: -202.747929
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -62.276
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -470.237751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.237751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.237751 (E_RNA)
where:
Base-Base interactions energy: -253.194
where: short stacking energy: -142.062
Base-Backbone interact. energy: -0.867
local terms energy: -216.177308
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -420.166022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.166022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.166022 (E_RNA)
where:
Base-Base interactions energy: -218.632
where: short stacking energy: -129.191
Base-Backbone interact. energy: -1.737
local terms energy: -199.797426
where:
bonds (distance) C4'-P energy: -54.260
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -55.259
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -408.049083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.049083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.049083 (E_RNA)
where:
Base-Base interactions energy: -235.796
where: short stacking energy: -113.206
Base-Backbone interact. energy: -1.909
local terms energy: -170.344368
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -55.125
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -288.013681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.013681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.013681 (E_RNA)
where:
Base-Base interactions energy: -111.077
where: short stacking energy: -98.371
Base-Backbone interact. energy: 0.594
local terms energy: -177.530956
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -843.354414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.354414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.354414 (E_RNA)
where:
Base-Base interactions energy: -550.622
where: short stacking energy: -279.496
Base-Backbone interact. energy: -0.906
local terms energy: -291.826377
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -63.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -815.303906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.303906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.303906 (E_RNA)
where:
Base-Base interactions energy: -526.299
where: short stacking energy: -275.269
Base-Backbone interact. energy: -0.511
local terms energy: -288.494341
where:
bonds (distance) C4'-P energy: -50.966
bonds (distance) P-C4' energy: -59.099
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -74.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -708.084726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.084726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.084726 (E_RNA)
where:
Base-Base interactions energy: -441.093
where: short stacking energy: -239.981
Base-Backbone interact. energy: -1.826
local terms energy: -265.166022
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -60.757
flat angles C4'-P-C4' energy: -60.534
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -49.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -652.910517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.910517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.910517 (E_RNA)
where:
Base-Base interactions energy: -405.910
where: short stacking energy: -202.423
Base-Backbone interact. energy: -1.691
local terms energy: -245.309390
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -517.823467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.823467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.823467 (E_RNA)
where:
Base-Base interactions energy: -285.899
where: short stacking energy: -171.039
Base-Backbone interact. energy: -2.952
local terms energy: -228.973180
where:
bonds (distance) C4'-P energy: -55.677
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -54.653
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -515.644872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.644872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.644872 (E_RNA)
where:
Base-Base interactions energy: -272.450
where: short stacking energy: -154.571
Base-Backbone interact. energy: -0.308
local terms energy: -242.887014
where:
bonds (distance) C4'-P energy: -55.702
bonds (distance) P-C4' energy: -63.672
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -539.606533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.606533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.606533 (E_RNA)
where:
Base-Base interactions energy: -323.237
where: short stacking energy: -161.330
Base-Backbone interact. energy: -0.323
local terms energy: -216.046666
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -65.685
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -414.514169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.514169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.514169 (E_RNA)
where:
Base-Base interactions energy: -233.825
where: short stacking energy: -141.881
Base-Backbone interact. energy: -0.389
local terms energy: -180.300380
where:
bonds (distance) C4'-P energy: -37.693
bonds (distance) P-C4' energy: -45.067
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -452.192975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.192975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.192975 (E_RNA)
where:
Base-Base interactions energy: -253.995
where: short stacking energy: -131.568
Base-Backbone interact. energy: -1.028
local terms energy: -197.170035
where:
bonds (distance) C4'-P energy: -46.276
bonds (distance) P-C4' energy: -52.104
flat angles C4'-P-C4' energy: -49.983
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -269.488157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.488157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.488157 (E_RNA)
where:
Base-Base interactions energy: -77.490
where: short stacking energy: -69.161
Base-Backbone interact. energy: 4.151
local terms energy: -196.149104
where:
bonds (distance) C4'-P energy: -56.831
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -51.447
flat angles P-C4'-P energy: -41.995
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -858.994890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.994890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.994890 (E_RNA)
where:
Base-Base interactions energy: -562.715
where: short stacking energy: -257.139
Base-Backbone interact. energy: -0.972
local terms energy: -295.307465
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -58.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -809.907206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.907206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.907206 (E_RNA)
where:
Base-Base interactions energy: -516.643
where: short stacking energy: -274.647
Base-Backbone interact. energy: 0.075
local terms energy: -293.338917
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -55.955
flat angles C4'-P-C4' energy: -63.596
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -72.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -730.646721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.646721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.646721 (E_RNA)
where:
Base-Base interactions energy: -462.444
where: short stacking energy: -213.917
Base-Backbone interact. energy: -4.976
local terms energy: -263.226523
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -41.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -703.802620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.802620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.802620 (E_RNA)
where:
Base-Base interactions energy: -437.423
where: short stacking energy: -203.317
Base-Backbone interact. energy: -0.026
local terms energy: -266.353378
where:
bonds (distance) C4'-P energy: -58.314
bonds (distance) P-C4' energy: -59.030
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -47.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -633.358374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.358374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.358374 (E_RNA)
where:
Base-Base interactions energy: -392.758
where: short stacking energy: -186.899
Base-Backbone interact. energy: -1.453
local terms energy: -239.147612
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -45.137
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -36.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -539.536625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.536625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.536625 (E_RNA)
where:
Base-Base interactions energy: -317.148
where: short stacking energy: -157.396
Base-Backbone interact. energy: -1.257
local terms energy: -221.131699
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -572.824201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.824201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.824201 (E_RNA)
where:
Base-Base interactions energy: -356.601
where: short stacking energy: -157.308
Base-Backbone interact. energy: -1.375
local terms energy: -214.848204
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -60.354
flat angles C4'-P-C4' energy: -48.455
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -487.143782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.143782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.143782 (E_RNA)
where:
Base-Base interactions energy: -279.854
where: short stacking energy: -154.915
Base-Backbone interact. energy: -1.396
local terms energy: -205.893129
where:
bonds (distance) C4'-P energy: -49.747
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -48.371
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -455.639904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.639904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.639904 (E_RNA)
where:
Base-Base interactions energy: -296.710
where: short stacking energy: -126.439
Base-Backbone interact. energy: -1.921
local terms energy: -157.008755
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -282.397742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.397742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.397742 (E_RNA)
where:
Base-Base interactions energy: -109.505
where: short stacking energy: -93.025
Base-Backbone interact. energy: 3.101
local terms energy: -175.993976
where:
bonds (distance) C4'-P energy: -52.761
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -39.441
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: 6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -872.551274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.551274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.551274 (E_RNA)
where:
Base-Base interactions energy: -581.046
where: short stacking energy: -260.493
Base-Backbone interact. energy: -0.409
local terms energy: -291.096169
where:
bonds (distance) C4'-P energy: -64.257
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -61.863
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -68.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -799.603130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.603130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.603130 (E_RNA)
where:
Base-Base interactions energy: -525.793
where: short stacking energy: -259.524
Base-Backbone interact. energy: 0.449
local terms energy: -274.259449
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -65.217
flat angles P-C4'-P energy: -31.391
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -713.065055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.065055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.065055 (E_RNA)
where:
Base-Base interactions energy: -459.432
where: short stacking energy: -204.622
Base-Backbone interact. energy: -1.068
local terms energy: -252.564883
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -60.827
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -717.276135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.276135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.276135 (E_RNA)
where:
Base-Base interactions energy: -458.976
where: short stacking energy: -225.698
Base-Backbone interact. energy: -0.680
local terms energy: -257.619634
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -57.133
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: -58.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -672.696755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.696755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.696755 (E_RNA)
where:
Base-Base interactions energy: -424.024
where: short stacking energy: -194.840
Base-Backbone interact. energy: 2.248
local terms energy: -250.921416
where:
bonds (distance) C4'-P energy: -57.642
bonds (distance) P-C4' energy: -55.910
flat angles C4'-P-C4' energy: -60.564
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -47.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -570.358289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.358289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.358289 (E_RNA)
where:
Base-Base interactions energy: -340.689
where: short stacking energy: -155.811
Base-Backbone interact. energy: -1.140
local terms energy: -228.529432
where:
bonds (distance) C4'-P energy: -57.076
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -58.655
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -589.945686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.945686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.945686 (E_RNA)
where:
Base-Base interactions energy: -365.259
where: short stacking energy: -167.796
Base-Backbone interact. energy: -0.621
local terms energy: -224.065656
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -53.432
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -509.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.867277 (E_RNA)
where:
Base-Base interactions energy: -290.972
where: short stacking energy: -122.620
Base-Backbone interact. energy: -0.544
local terms energy: -218.351097
where:
bonds (distance) C4'-P energy: -63.048
bonds (distance) P-C4' energy: -51.479
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -448.175998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.175998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.175998 (E_RNA)
where:
Base-Base interactions energy: -259.922
where: short stacking energy: -126.914
Base-Backbone interact. energy: -2.150
local terms energy: -186.104087
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -290.154895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.154895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.154895 (E_RNA)
where:
Base-Base interactions energy: -113.059
where: short stacking energy: -78.659
Base-Backbone interact. energy: 4.789
local terms energy: -181.884727
where:
bonds (distance) C4'-P energy: -46.411
bonds (distance) P-C4' energy: -51.311
flat angles C4'-P-C4' energy: -48.914
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -877.975191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.975191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.975191 (E_RNA)
where:
Base-Base interactions energy: -585.550
where: short stacking energy: -287.927
Base-Backbone interact. energy: -2.356
local terms energy: -290.068875
where:
bonds (distance) C4'-P energy: -59.928
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -71.187
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -67.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -820.780236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.780236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.780236 (E_RNA)
where:
Base-Base interactions energy: -533.202
where: short stacking energy: -257.028
Base-Backbone interact. energy: 1.369
local terms energy: -288.947771
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -62.889
flat angles P-C4'-P energy: -43.588
tors. eta vs tors. theta energy: -68.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -717.695308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.695308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.695308 (E_RNA)
where:
Base-Base interactions energy: -452.212
where: short stacking energy: -208.992
Base-Backbone interact. energy: 2.206
local terms energy: -267.689436
where:
bonds (distance) C4'-P energy: -60.424
bonds (distance) P-C4' energy: -62.709
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -720.920800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.920800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.920800 (E_RNA)
where:
Base-Base interactions energy: -461.788
where: short stacking energy: -218.002
Base-Backbone interact. energy: -0.977
local terms energy: -258.155690
where:
bonds (distance) C4'-P energy: -55.176
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -55.651
flat angles P-C4'-P energy: -37.490
tors. eta vs tors. theta energy: -46.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -595.926129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.926129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.926129 (E_RNA)
where:
Base-Base interactions energy: -362.396
where: short stacking energy: -185.031
Base-Backbone interact. energy: -0.074
local terms energy: -233.456193
where:
bonds (distance) C4'-P energy: -56.035
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -56.909
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -31.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -575.612863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.612863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.612863 (E_RNA)
where:
Base-Base interactions energy: -341.975
where: short stacking energy: -166.840
Base-Backbone interact. energy: -1.457
local terms energy: -232.180462
where:
bonds (distance) C4'-P energy: -54.238
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -55.552
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -30.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -547.085596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.085596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.085596 (E_RNA)
where:
Base-Base interactions energy: -329.433
where: short stacking energy: -180.808
Base-Backbone interact. energy: 0.902
local terms energy: -218.554886
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -43.113
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -39.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -573.776830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.776830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.776830 (E_RNA)
where:
Base-Base interactions energy: -369.784
where: short stacking energy: -170.619
Base-Backbone interact. energy: 0.185
local terms energy: -204.177822
where:
bonds (distance) C4'-P energy: -41.737
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -29.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -462.458943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.458943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.458943 (E_RNA)
where:
Base-Base interactions energy: -250.939
where: short stacking energy: -134.497
Base-Backbone interact. energy: -3.211
local terms energy: -208.308720
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -55.587
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -291.349561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.349561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.349561 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -110.391
Base-Backbone interact. energy: -0.691
local terms energy: -172.394192
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -50.045
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: 5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -926.847374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.847374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.847374 (E_RNA)
where:
Base-Base interactions energy: -634.567
where: short stacking energy: -285.174
Base-Backbone interact. energy: -2.334
local terms energy: -289.946090
where:
bonds (distance) C4'-P energy: -56.380
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -73.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -827.588944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.588944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.588944 (E_RNA)
where:
Base-Base interactions energy: -535.425
where: short stacking energy: -253.245
Base-Backbone interact. energy: -0.753
local terms energy: -291.411421
where:
bonds (distance) C4'-P energy: -67.774
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -44.011
tors. eta vs tors. theta energy: -57.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -737.154615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.154615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.154615 (E_RNA)
where:
Base-Base interactions energy: -473.260
where: short stacking energy: -235.339
Base-Backbone interact. energy: -0.793
local terms energy: -263.101504
where:
bonds (distance) C4'-P energy: -55.045
bonds (distance) P-C4' energy: -63.314
flat angles C4'-P-C4' energy: -45.653
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -57.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -794.285919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.285919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.285919 (E_RNA)
where:
Base-Base interactions energy: -539.574
where: short stacking energy: -242.661
Base-Backbone interact. energy: -1.725
local terms energy: -252.986555
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -53.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -597.570901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.570901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.570901 (E_RNA)
where:
Base-Base interactions energy: -360.354
where: short stacking energy: -184.144
Base-Backbone interact. energy: -1.670
local terms energy: -235.547363
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -54.007
flat angles C4'-P-C4' energy: -57.991
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -36.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -543.469770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.469770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.469770 (E_RNA)
where:
Base-Base interactions energy: -323.949
where: short stacking energy: -174.146
Base-Backbone interact. energy: 0.984
local terms energy: -220.504329
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -51.833
flat angles C4'-P-C4' energy: -49.405
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -34.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -515.034212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.034212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.034212 (E_RNA)
where:
Base-Base interactions energy: -298.559
where: short stacking energy: -157.592
Base-Backbone interact. energy: 0.303
local terms energy: -216.778695
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -50.404
flat angles C4'-P-C4' energy: -63.826
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -579.901661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.901661 (E_RNA)
where:
Base-Base interactions energy: -381.554
where: short stacking energy: -162.717
Base-Backbone interact. energy: -1.270
local terms energy: -197.078478
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -49.959
flat angles C4'-P-C4' energy: -44.110
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -30.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -402.439512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.439512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.439512 (E_RNA)
where:
Base-Base interactions energy: -235.599
where: short stacking energy: -131.236
Base-Backbone interact. energy: 0.215
local terms energy: -167.056075
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -57.158
flat angles C4'-P-C4' energy: -48.142
flat angles P-C4'-P energy: -1.691
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -288.519382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.519382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.519382 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -67.008
Base-Backbone interact. energy: 0.883
local terms energy: -162.100334
where:
bonds (distance) C4'-P energy: -52.366
bonds (distance) P-C4' energy: -53.195
flat angles C4'-P-C4' energy: -42.777
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: 8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -924.087900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.087900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.087900 (E_RNA)
where:
Base-Base interactions energy: -632.327
where: short stacking energy: -304.375
Base-Backbone interact. energy: -1.471
local terms energy: -290.290552
where:
bonds (distance) C4'-P energy: -64.199
bonds (distance) P-C4' energy: -54.742
flat angles C4'-P-C4' energy: -64.009
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -71.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -828.961225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.961225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.961225 (E_RNA)
where:
Base-Base interactions energy: -554.250
where: short stacking energy: -267.302
Base-Backbone interact. energy: -0.715
local terms energy: -273.996613
where:
bonds (distance) C4'-P energy: -58.358
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -37.731
tors. eta vs tors. theta energy: -58.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -764.515427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.515427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.515427 (E_RNA)
where:
Base-Base interactions energy: -490.986
where: short stacking energy: -236.872
Base-Backbone interact. energy: -1.412
local terms energy: -272.116548
where:
bonds (distance) C4'-P energy: -68.012
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -58.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -759.131085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.131085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.131085 (E_RNA)
where:
Base-Base interactions energy: -506.433
where: short stacking energy: -258.063
Base-Backbone interact. energy: -0.942
local terms energy: -251.755432
where:
bonds (distance) C4'-P energy: -46.643
bonds (distance) P-C4' energy: -53.441
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -611.717312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.717312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.717312 (E_RNA)
where:
Base-Base interactions energy: -353.544
where: short stacking energy: -176.930
Base-Backbone interact. energy: -1.644
local terms energy: -256.529513
where:
bonds (distance) C4'-P energy: -62.846
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -509.108373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.108373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.108373 (E_RNA)
where:
Base-Base interactions energy: -279.989
where: short stacking energy: -153.492
Base-Backbone interact. energy: -1.165
local terms energy: -227.954324
where:
bonds (distance) C4'-P energy: -53.318
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -53.825
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -663.324705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.324705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.324705 (E_RNA)
where:
Base-Base interactions energy: -432.599
where: short stacking energy: -206.496
Base-Backbone interact. energy: -0.778
local terms energy: -229.947920
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -61.635
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -40.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -514.847754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.847754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.847754 (E_RNA)
where:
Base-Base interactions energy: -298.932
where: short stacking energy: -143.544
Base-Backbone interact. energy: 0.902
local terms energy: -216.817946
where:
bonds (distance) C4'-P energy: -43.941
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -44.850
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -426.187963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.187963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.187963 (E_RNA)
where:
Base-Base interactions energy: -223.921
where: short stacking energy: -124.733
Base-Backbone interact. energy: -0.615
local terms energy: -201.651821
where:
bonds (distance) C4'-P energy: -54.985
bonds (distance) P-C4' energy: -57.005
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -259.477496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.477496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.477496 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -68.867
Base-Backbone interact. energy: 3.127
local terms energy: -153.902097
where:
bonds (distance) C4'-P energy: -50.525
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: 18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -933.512981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.512981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.512981 (E_RNA)
where:
Base-Base interactions energy: -638.435
where: short stacking energy: -305.806
Base-Backbone interact. energy: -1.282
local terms energy: -293.795848
where:
bonds (distance) C4'-P energy: -63.510
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -72.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -825.499141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.499141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.499141 (E_RNA)
where:
Base-Base interactions energy: -523.845
where: short stacking energy: -260.446
Base-Backbone interact. energy: -4.113
local terms energy: -297.541914
where:
bonds (distance) C4'-P energy: -63.594
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -62.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -797.209282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.209282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.209282 (E_RNA)
where:
Base-Base interactions energy: -519.198
where: short stacking energy: -249.564
Base-Backbone interact. energy: -0.379
local terms energy: -277.633011
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -58.720
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -59.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -771.341551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.341551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.341551 (E_RNA)
where:
Base-Base interactions energy: -520.012
where: short stacking energy: -234.845
Base-Backbone interact. energy: -0.671
local terms energy: -250.658320
where:
bonds (distance) C4'-P energy: -48.095
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -50.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -546.697229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.697229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.697229 (E_RNA)
where:
Base-Base interactions energy: -309.637
where: short stacking energy: -165.946
Base-Backbone interact. energy: -1.772
local terms energy: -235.288675
where:
bonds (distance) C4'-P energy: -59.280
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -52.237
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -31.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -705.173717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.173717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.173717 (E_RNA)
where:
Base-Base interactions energy: -461.672
where: short stacking energy: -201.449
Base-Backbone interact. energy: -1.417
local terms energy: -242.083895
where:
bonds (distance) C4'-P energy: -56.205
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: -43.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -509.910768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.910768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.910768 (E_RNA)
where:
Base-Base interactions energy: -292.471
where: short stacking energy: -149.577
Base-Backbone interact. energy: -0.176
local terms energy: -217.263895
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -49.850
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -29.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -521.358874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.358874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.358874 (E_RNA)
where:
Base-Base interactions energy: -315.474
where: short stacking energy: -154.334
Base-Backbone interact. energy: -1.808
local terms energy: -204.076502
where:
bonds (distance) C4'-P energy: -36.309
bonds (distance) P-C4' energy: -53.871
flat angles C4'-P-C4' energy: -64.687
flat angles P-C4'-P energy: -29.407
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -422.749559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.749559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.749559 (E_RNA)
where:
Base-Base interactions energy: -223.855
where: short stacking energy: -124.709
Base-Backbone interact. energy: 1.218
local terms energy: -200.112664
where:
bonds (distance) C4'-P energy: -52.784
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -50.194
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -278.067828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.067828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.067828 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.667
local terms energy: -153.858957
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -61.819
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: 12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -932.185828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.185828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.185828 (E_RNA)
where:
Base-Base interactions energy: -623.553
where: short stacking energy: -299.976
Base-Backbone interact. energy: -3.215
local terms energy: -305.418384
where:
bonds (distance) C4'-P energy: -61.622
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -72.214
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -73.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -830.218850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.218850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.218850 (E_RNA)
where:
Base-Base interactions energy: -522.013
where: short stacking energy: -264.601
Base-Backbone interact. energy: 0.861
local terms energy: -309.067093
where:
bonds (distance) C4'-P energy: -68.012
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -71.976
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -67.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -798.811744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.811744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.811744 (E_RNA)
where:
Base-Base interactions energy: -530.111
where: short stacking energy: -242.688
Base-Backbone interact. energy: -1.828
local terms energy: -266.873466
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -63.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -815.450154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.450154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.450154 (E_RNA)
where:
Base-Base interactions energy: -545.257
where: short stacking energy: -228.263
Base-Backbone interact. energy: -0.291
local terms energy: -269.902511
where:
bonds (distance) C4'-P energy: -57.582
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -58.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -755.780386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.780386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.780386 (E_RNA)
where:
Base-Base interactions energy: -484.106
where: short stacking energy: -220.551
Base-Backbone interact. energy: -1.590
local terms energy: -270.084621
where:
bonds (distance) C4'-P energy: -55.613
bonds (distance) P-C4' energy: -52.595
flat angles C4'-P-C4' energy: -64.070
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -59.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -542.571491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.571491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.571491 (E_RNA)
where:
Base-Base interactions energy: -297.760
where: short stacking energy: -179.282
Base-Backbone interact. energy: 2.131
local terms energy: -246.942326
where:
bonds (distance) C4'-P energy: -56.202
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -559.328322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.328322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.328322 (E_RNA)
where:
Base-Base interactions energy: -350.020
where: short stacking energy: -157.803
Base-Backbone interact. energy: -0.348
local terms energy: -208.960960
where:
bonds (distance) C4'-P energy: -34.905
bonds (distance) P-C4' energy: -58.811
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -33.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -493.841737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.841737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.841737 (E_RNA)
where:
Base-Base interactions energy: -270.848
where: short stacking energy: -133.995
Base-Backbone interact. energy: -0.982
local terms energy: -222.012186
where:
bonds (distance) C4'-P energy: -59.768
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -405.376804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.376804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.376804 (E_RNA)
where:
Base-Base interactions energy: -228.699
where: short stacking energy: -123.712
Base-Backbone interact. energy: -1.342
local terms energy: -175.336088
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -47.406
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -291.701745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.701745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.701745 (E_RNA)
where:
Base-Base interactions energy: -125.927
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.526
local terms energy: -165.248504
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -43.160
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -936.463286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.463286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.463286 (E_RNA)
where:
Base-Base interactions energy: -642.687
where: short stacking energy: -288.822
Base-Backbone interact. energy: -1.520
local terms energy: -292.255982
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -60.754
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -32.631
tors. eta vs tors. theta energy: -79.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -817.467337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.467337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.467337 (E_RNA)
where:
Base-Base interactions energy: -558.928
where: short stacking energy: -244.553
Base-Backbone interact. energy: -1.284
local terms energy: -257.254990
where:
bonds (distance) C4'-P energy: -50.056
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -60.259
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -53.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -827.851165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.851165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.851165 (E_RNA)
where:
Base-Base interactions energy: -552.681
where: short stacking energy: -253.846
Base-Backbone interact. energy: -1.639
local terms energy: -273.530409
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -66.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -792.029016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.029016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.029016 (E_RNA)
where:
Base-Base interactions energy: -518.121
where: short stacking energy: -235.072
Base-Backbone interact. energy: -1.230
local terms energy: -272.678600
where:
bonds (distance) C4'-P energy: -58.672
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -61.713
flat angles P-C4'-P energy: -35.964
tors. eta vs tors. theta energy: -51.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -787.180027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.180027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.180027 (E_RNA)
where:
Base-Base interactions energy: -526.919
where: short stacking energy: -243.246
Base-Backbone interact. energy: -3.876
local terms energy: -256.384537
where:
bonds (distance) C4'-P energy: -52.772
bonds (distance) P-C4' energy: -49.078
flat angles C4'-P-C4' energy: -52.895
flat angles P-C4'-P energy: -41.830
tors. eta vs tors. theta energy: -59.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -545.040984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.040984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.040984 (E_RNA)
where:
Base-Base interactions energy: -337.789
where: short stacking energy: -176.144
Base-Backbone interact. energy: -0.864
local terms energy: -206.388507
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -30.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -529.713784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.713784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.713784 (E_RNA)
where:
Base-Base interactions energy: -323.289
where: short stacking energy: -157.047
Base-Backbone interact. energy: -0.407
local terms energy: -206.017434
where:
bonds (distance) C4'-P energy: -51.983
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -486.277189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.277189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.277189 (E_RNA)
where:
Base-Base interactions energy: -282.253
where: short stacking energy: -153.720
Base-Backbone interact. energy: 3.795
local terms energy: -207.818881
where:
bonds (distance) C4'-P energy: -45.940
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -36.160
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -464.512636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.512636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.512636 (E_RNA)
where:
Base-Base interactions energy: -268.043
where: short stacking energy: -132.769
Base-Backbone interact. energy: 1.522
local terms energy: -197.992001
where:
bonds (distance) C4'-P energy: -36.587
bonds (distance) P-C4' energy: -55.461
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -299.320177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.320177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.320177 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -95.754
Base-Backbone interact. energy: -1.335
local terms energy: -171.635466
where:
bonds (distance) C4'-P energy: -41.695
bonds (distance) P-C4' energy: -55.581
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -940.523357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.523357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.523357 (E_RNA)
where:
Base-Base interactions energy: -637.734
where: short stacking energy: -300.599
Base-Backbone interact. energy: 0.625
local terms energy: -303.414396
where:
bonds (distance) C4'-P energy: -54.214
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -66.261
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -79.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -845.146696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.146696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.146696 (E_RNA)
where:
Base-Base interactions energy: -570.571
where: short stacking energy: -254.006
Base-Backbone interact. energy: -3.740
local terms energy: -270.836069
where:
bonds (distance) C4'-P energy: -56.833
bonds (distance) P-C4' energy: -62.653
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -807.543298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.543298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.543298 (E_RNA)
where:
Base-Base interactions energy: -558.250
where: short stacking energy: -233.073
Base-Backbone interact. energy: -0.847
local terms energy: -248.446445
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -34.547
tors. eta vs tors. theta energy: -46.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -852.935990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.935990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.935990 (E_RNA)
where:
Base-Base interactions energy: -562.592
where: short stacking energy: -253.848
Base-Backbone interact. energy: -1.099
local terms energy: -289.244507
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -62.408
flat angles P-C4'-P energy: -41.394
tors. eta vs tors. theta energy: -70.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -803.861115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.861115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.861115 (E_RNA)
where:
Base-Base interactions energy: -522.623
where: short stacking energy: -260.025
Base-Backbone interact. energy: -0.670
local terms energy: -280.568363
where:
bonds (distance) C4'-P energy: -57.518
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -58.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -531.094908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.094908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.094908 (E_RNA)
where:
Base-Base interactions energy: -295.804
where: short stacking energy: -171.028
Base-Backbone interact. energy: -0.647
local terms energy: -234.643830
where:
bonds (distance) C4'-P energy: -49.795
bonds (distance) P-C4' energy: -48.730
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -35.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -488.784960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.784960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.784960 (E_RNA)
where:
Base-Base interactions energy: -299.496
where: short stacking energy: -141.598
Base-Backbone interact. energy: 2.176
local terms energy: -191.465189
where:
bonds (distance) C4'-P energy: -40.007
bonds (distance) P-C4' energy: -53.218
flat angles C4'-P-C4' energy: -51.626
flat angles P-C4'-P energy: -29.354
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -511.676467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.676467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.676467 (E_RNA)
where:
Base-Base interactions energy: -349.878
where: short stacking energy: -167.698
Base-Backbone interact. energy: 0.323
local terms energy: -162.121775
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -435.817912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.817912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.817912 (E_RNA)
where:
Base-Base interactions energy: -241.149
where: short stacking energy: -111.402
Base-Backbone interact. energy: -1.047
local terms energy: -193.622510
where:
bonds (distance) C4'-P energy: -43.435
bonds (distance) P-C4' energy: -53.772
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -262.176891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.176891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.176891 (E_RNA)
where:
Base-Base interactions energy: -94.388
where: short stacking energy: -65.173
Base-Backbone interact. energy: -1.912
local terms energy: -165.877706
where:
bonds (distance) C4'-P energy: -44.442
bonds (distance) P-C4' energy: -49.349
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: 7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -937.767869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.767869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.767869 (E_RNA)
where:
Base-Base interactions energy: -642.848
where: short stacking energy: -291.234
Base-Backbone interact. energy: -0.867
local terms energy: -294.052916
where:
bonds (distance) C4'-P energy: -65.860
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -71.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -870.123347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.123347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.123347 (E_RNA)
where:
Base-Base interactions energy: -585.460
where: short stacking energy: -248.947
Base-Backbone interact. energy: -2.121
local terms energy: -282.542302
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -58.312
flat angles P-C4'-P energy: -41.067
tors. eta vs tors. theta energy: -64.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -826.390138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.390138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.390138 (E_RNA)
where:
Base-Base interactions energy: -539.813
where: short stacking energy: -246.123
Base-Backbone interact. energy: -1.634
local terms energy: -284.942772
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -59.928
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -43.740
tors. eta vs tors. theta energy: -62.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -834.167641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.167641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.167641 (E_RNA)
where:
Base-Base interactions energy: -533.653
where: short stacking energy: -256.908
Base-Backbone interact. energy: -1.344
local terms energy: -299.170601
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -62.385
flat angles C4'-P-C4' energy: -67.063
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -71.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -817.643548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.643548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.643548 (E_RNA)
where:
Base-Base interactions energy: -542.031
where: short stacking energy: -238.864
Base-Backbone interact. energy: -1.619
local terms energy: -273.992737
where:
bonds (distance) C4'-P energy: -58.836
bonds (distance) P-C4' energy: -51.219
flat angles C4'-P-C4' energy: -55.190
flat angles P-C4'-P energy: -52.425
tors. eta vs tors. theta energy: -56.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -562.340750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.340750 (E_RNA)
where:
Base-Base interactions energy: -350.562
where: short stacking energy: -168.916
Base-Backbone interact. energy: -0.893
local terms energy: -210.885145
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -56.246
flat angles C4'-P-C4' energy: -60.789
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -507.190146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.190146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.190146 (E_RNA)
where:
Base-Base interactions energy: -271.622
where: short stacking energy: -141.206
Base-Backbone interact. energy: -0.509
local terms energy: -235.058901
where:
bonds (distance) C4'-P energy: -58.818
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -30.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -472.354936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.354936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.354936 (E_RNA)
where:
Base-Base interactions energy: -246.454
where: short stacking energy: -114.444
Base-Backbone interact. energy: -1.180
local terms energy: -224.720280
where:
bonds (distance) C4'-P energy: -59.075
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -51.954
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -27.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -547.939850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.939850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.939850 (E_RNA)
where:
Base-Base interactions energy: -342.143
where: short stacking energy: -165.044
Base-Backbone interact. energy: -0.847
local terms energy: -204.949668
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -308.039843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.039843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.039843 (E_RNA)
where:
Base-Base interactions energy: -156.151
where: short stacking energy: -104.568
Base-Backbone interact. energy: 0.528
local terms energy: -152.416054
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: 9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -981.043709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.043709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.043709 (E_RNA)
where:
Base-Base interactions energy: -668.801
where: short stacking energy: -316.257
Base-Backbone interact. energy: -0.820
local terms energy: -311.422632
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -67.528
flat angles C4'-P-C4' energy: -64.992
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -81.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -907.967756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.967756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.967756 (E_RNA)
where:
Base-Base interactions energy: -616.609
where: short stacking energy: -265.729
Base-Backbone interact. energy: -0.362
local terms energy: -290.996719
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -68.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -879.103499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.103499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.103499 (E_RNA)
where:
Base-Base interactions energy: -590.994
where: short stacking energy: -262.665
Base-Backbone interact. energy: -1.503
local terms energy: -286.606694
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -67.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -808.338492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.338492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.338492 (E_RNA)
where:
Base-Base interactions energy: -531.153
where: short stacking energy: -244.804
Base-Backbone interact. energy: -3.043
local terms energy: -274.141948
where:
bonds (distance) C4'-P energy: -47.043
bonds (distance) P-C4' energy: -57.560
flat angles C4'-P-C4' energy: -64.643
flat angles P-C4'-P energy: -48.785
tors. eta vs tors. theta energy: -56.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -806.314142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.314142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.314142 (E_RNA)
where:
Base-Base interactions energy: -554.401
where: short stacking energy: -238.816
Base-Backbone interact. energy: 0.809
local terms energy: -252.722590
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -35.450
tors. eta vs tors. theta energy: -50.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -598.650163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.650163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.650163 (E_RNA)
where:
Base-Base interactions energy: -376.873
where: short stacking energy: -193.088
Base-Backbone interact. energy: -1.042
local terms energy: -220.735454
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -529.857268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.857268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.857268 (E_RNA)
where:
Base-Base interactions energy: -339.344
where: short stacking energy: -152.886
Base-Backbone interact. energy: 0.372
local terms energy: -190.885723
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -37.980
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -509.515246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.515246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.515246 (E_RNA)
where:
Base-Base interactions energy: -301.003
where: short stacking energy: -161.149
Base-Backbone interact. energy: -0.404
local terms energy: -208.108756
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -65.577
flat angles C4'-P-C4' energy: -45.676
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -528.167867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.167867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.167867 (E_RNA)
where:
Base-Base interactions energy: -317.267
where: short stacking energy: -151.018
Base-Backbone interact. energy: -1.416
local terms energy: -209.484849
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -51.894
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -312.736158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.736158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.736158 (E_RNA)
where:
Base-Base interactions energy: -130.454
where: short stacking energy: -96.910
Base-Backbone interact. energy: 1.007
local terms energy: -183.289479
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -970.776306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.776306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.776306 (E_RNA)
where:
Base-Base interactions energy: -665.594
where: short stacking energy: -306.444
Base-Backbone interact. energy: 0.432
local terms energy: -305.614154
where:
bonds (distance) C4'-P energy: -64.897
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -67.791
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: -75.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -899.307952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.307952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.307952 (E_RNA)
where:
Base-Base interactions energy: -601.540
where: short stacking energy: -257.469
Base-Backbone interact. energy: -2.063
local terms energy: -295.704614
where:
bonds (distance) C4'-P energy: -62.735
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -66.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -901.481912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.481912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.481912 (E_RNA)
where:
Base-Base interactions energy: -606.213
where: short stacking energy: -261.009
Base-Backbone interact. energy: 0.138
local terms energy: -295.407510
where:
bonds (distance) C4'-P energy: -61.909
bonds (distance) P-C4' energy: -62.240
flat angles C4'-P-C4' energy: -60.902
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -71.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -830.094684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.094684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.094684 (E_RNA)
where:
Base-Base interactions energy: -551.042
where: short stacking energy: -248.099
Base-Backbone interact. energy: -2.548
local terms energy: -276.504594
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -63.348
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -55.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -736.115833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.115833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.115833 (E_RNA)
where:
Base-Base interactions energy: -464.923
where: short stacking energy: -212.176
Base-Backbone interact. energy: -1.305
local terms energy: -269.888208
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -60.567
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -57.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -606.131376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.131376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.131376 (E_RNA)
where:
Base-Base interactions energy: -378.179
where: short stacking energy: -189.254
Base-Backbone interact. energy: 2.394
local terms energy: -230.346561
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -543.905190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.905190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.905190 (E_RNA)
where:
Base-Base interactions energy: -332.968
where: short stacking energy: -170.803
Base-Backbone interact. energy: -0.721
local terms energy: -210.216432
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -51.668
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -35.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -491.681387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.681387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.681387 (E_RNA)
where:
Base-Base interactions energy: -268.837
where: short stacking energy: -137.382
Base-Backbone interact. energy: 0.139
local terms energy: -222.984123
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -514.291347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.291347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.291347 (E_RNA)
where:
Base-Base interactions energy: -329.106
where: short stacking energy: -172.105
Base-Backbone interact. energy: 0.798
local terms energy: -185.983764
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -305.320055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.320055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.320055 (E_RNA)
where:
Base-Base interactions energy: -136.194
where: short stacking energy: -96.216
Base-Backbone interact. energy: 1.425
local terms energy: -170.551184
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -963.236325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.236325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.236325 (E_RNA)
where:
Base-Base interactions energy: -658.483
where: short stacking energy: -277.606
Base-Backbone interact. energy: -1.193
local terms energy: -303.560220
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -63.369
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -70.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -906.893510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.893510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.893510 (E_RNA)
where:
Base-Base interactions energy: -629.664
where: short stacking energy: -269.656
Base-Backbone interact. energy: -2.810
local terms energy: -274.420095
where:
bonds (distance) C4'-P energy: -55.230
bonds (distance) P-C4' energy: -59.050
flat angles C4'-P-C4' energy: -57.554
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -72.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -924.724662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.724662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.724662 (E_RNA)
where:
Base-Base interactions energy: -646.721
where: short stacking energy: -276.512
Base-Backbone interact. energy: -0.119
local terms energy: -277.884540
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -65.223
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: -72.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -807.549693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.549693 (E_RNA)
where:
Base-Base interactions energy: -530.589
where: short stacking energy: -243.189
Base-Backbone interact. energy: -2.239
local terms energy: -274.721912
where:
bonds (distance) C4'-P energy: -60.828
bonds (distance) P-C4' energy: -52.361
flat angles C4'-P-C4' energy: -59.076
flat angles P-C4'-P energy: -35.506
tors. eta vs tors. theta energy: -66.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -649.542192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.542192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.542192 (E_RNA)
where:
Base-Base interactions energy: -408.645
where: short stacking energy: -194.755
Base-Backbone interact. energy: 0.798
local terms energy: -241.694694
where:
bonds (distance) C4'-P energy: -55.777
bonds (distance) P-C4' energy: -58.852
flat angles C4'-P-C4' energy: -52.503
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -726.584997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.584997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.584997 (E_RNA)
where:
Base-Base interactions energy: -462.958
where: short stacking energy: -207.096
Base-Backbone interact. energy: 0.028
local terms energy: -263.655645
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -49.724
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -57.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -558.184677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.184677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.184677 (E_RNA)
where:
Base-Base interactions energy: -329.737
where: short stacking energy: -171.358
Base-Backbone interact. energy: -1.657
local terms energy: -226.790083
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -46.245
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -30.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -505.246611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.246611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.246611 (E_RNA)
where:
Base-Base interactions energy: -284.220
where: short stacking energy: -157.043
Base-Backbone interact. energy: -1.004
local terms energy: -220.022530
where:
bonds (distance) C4'-P energy: -52.721
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -523.155264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.155264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.155264 (E_RNA)
where:
Base-Base interactions energy: -319.231
where: short stacking energy: -159.970
Base-Backbone interact. energy: -0.365
local terms energy: -203.558859
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -55.285
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -30.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -313.307511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.307511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.307511 (E_RNA)
where:
Base-Base interactions energy: -136.800
where: short stacking energy: -103.764
Base-Backbone interact. energy: -1.948
local terms energy: -174.558867
where:
bonds (distance) C4'-P energy: -43.537
bonds (distance) P-C4' energy: -46.550
flat angles C4'-P-C4' energy: -50.929
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -981.742545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.742545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.742545 (E_RNA)
where:
Base-Base interactions energy: -666.918
where: short stacking energy: -309.553
Base-Backbone interact. energy: -1.797
local terms energy: -313.027907
where:
bonds (distance) C4'-P energy: -61.873
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -72.364
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -78.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -939.734966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.734966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.734966 (E_RNA)
where:
Base-Base interactions energy: -643.479
where: short stacking energy: -286.192
Base-Backbone interact. energy: -1.583
local terms energy: -294.673502
where:
bonds (distance) C4'-P energy: -54.081
bonds (distance) P-C4' energy: -59.294
flat angles C4'-P-C4' energy: -64.775
flat angles P-C4'-P energy: -35.966
tors. eta vs tors. theta energy: -80.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -845.141905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.141905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.141905 (E_RNA)
where:
Base-Base interactions energy: -574.558
where: short stacking energy: -235.877
Base-Backbone interact. energy: -0.375
local terms energy: -270.208886
where:
bonds (distance) C4'-P energy: -65.630
bonds (distance) P-C4' energy: -58.142
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -59.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -864.135429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.135429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.135429 (E_RNA)
where:
Base-Base interactions energy: -574.000
where: short stacking energy: -265.489
Base-Backbone interact. energy: -1.389
local terms energy: -288.746187
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -61.101
flat angles C4'-P-C4' energy: -63.872
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -60.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -637.249935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.249935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.249935 (E_RNA)
where:
Base-Base interactions energy: -389.881
where: short stacking energy: -186.604
Base-Backbone interact. energy: -0.751
local terms energy: -246.618125
where:
bonds (distance) C4'-P energy: -64.282
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -49.038
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -42.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -738.425616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.425616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.425616 (E_RNA)
where:
Base-Base interactions energy: -484.202
where: short stacking energy: -219.399
Base-Backbone interact. energy: 2.528
local terms energy: -256.751404
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -35.544
tors. eta vs tors. theta energy: -48.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -553.977640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.977640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.977640 (E_RNA)
where:
Base-Base interactions energy: -338.495
where: short stacking energy: -173.286
Base-Backbone interact. energy: -1.397
local terms energy: -214.085167
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -47.205
flat angles P-C4'-P energy: -33.192
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -526.377609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.377609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.377609 (E_RNA)
where:
Base-Base interactions energy: -294.055
where: short stacking energy: -160.618
Base-Backbone interact. energy: -1.439
local terms energy: -230.883658
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -63.968
flat angles C4'-P-C4' energy: -51.540
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -487.680002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.680002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.680002 (E_RNA)
where:
Base-Base interactions energy: -314.157
where: short stacking energy: -136.576
Base-Backbone interact. energy: -0.538
local terms energy: -172.985445
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -48.585
flat angles C4'-P-C4' energy: -43.579
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -326.653092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.653092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.653092 (E_RNA)
where:
Base-Base interactions energy: -153.253
where: short stacking energy: -87.825
Base-Backbone interact. energy: -0.780
local terms energy: -172.619683
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: 4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -988.517118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.517118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.517118 (E_RNA)
where:
Base-Base interactions energy: -678.030
where: short stacking energy: -330.605
Base-Backbone interact. energy: -0.501
local terms energy: -309.985692
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -69.083
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -81.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -948.283115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.283115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.283115 (E_RNA)
where:
Base-Base interactions energy: -647.834
where: short stacking energy: -283.022
Base-Backbone interact. energy: -2.635
local terms energy: -297.813499
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -64.431
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -74.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -876.095094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.095094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.095094 (E_RNA)
where:
Base-Base interactions energy: -583.071
where: short stacking energy: -268.045
Base-Backbone interact. energy: -3.848
local terms energy: -289.175904
where:
bonds (distance) C4'-P energy: -59.182
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -71.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -852.277455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.277455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.277455 (E_RNA)
where:
Base-Base interactions energy: -572.638
where: short stacking energy: -239.501
Base-Backbone interact. energy: -2.364
local terms energy: -277.275291
where:
bonds (distance) C4'-P energy: -56.331
bonds (distance) P-C4' energy: -61.314
flat angles C4'-P-C4' energy: -61.864
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -54.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -815.674470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.674470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.674470 (E_RNA)
where:
Base-Base interactions energy: -544.229
where: short stacking energy: -248.019
Base-Backbone interact. energy: -0.261
local terms energy: -271.184278
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -53.634
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -64.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -602.114204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.114204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.114204 (E_RNA)
where:
Base-Base interactions energy: -358.291
where: short stacking energy: -175.944
Base-Backbone interact. energy: -1.547
local terms energy: -242.276867
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -45.677
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -568.977434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.977434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.977434 (E_RNA)
where:
Base-Base interactions energy: -319.983
where: short stacking energy: -178.240
Base-Backbone interact. energy: -1.493
local terms energy: -247.501549
where:
bonds (distance) C4'-P energy: -59.024
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -58.983
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -41.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -511.775992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.775992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.775992 (E_RNA)
where:
Base-Base interactions energy: -311.733
where: short stacking energy: -144.891
Base-Backbone interact. energy: -2.146
local terms energy: -197.897381
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -503.316736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.316736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.316736 (E_RNA)
where:
Base-Base interactions energy: -302.141
where: short stacking energy: -146.406
Base-Backbone interact. energy: -0.727
local terms energy: -200.448936
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -47.533
flat angles C4'-P-C4' energy: -51.208
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -337.517970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.517970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.517970 (E_RNA)
where:
Base-Base interactions energy: -156.726
where: short stacking energy: -100.499
Base-Backbone interact. energy: -0.188
local terms energy: -180.603892
where:
bonds (distance) C4'-P energy: -44.197
bonds (distance) P-C4' energy: -58.058
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -987.036821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.036821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.036821 (E_RNA)
where:
Base-Base interactions energy: -671.009
where: short stacking energy: -314.492
Base-Backbone interact. energy: -0.623
local terms energy: -315.404904
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -73.220
flat angles C4'-P-C4' energy: -70.477
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -998.997163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.997163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.997163 (E_RNA)
where:
Base-Base interactions energy: -681.480
where: short stacking energy: -303.721
Base-Backbone interact. energy: -1.345
local terms energy: -316.172024
where:
bonds (distance) C4'-P energy: -62.821
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -46.322
tors. eta vs tors. theta energy: -78.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -878.828530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.828530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.828530 (E_RNA)
where:
Base-Base interactions energy: -596.091
where: short stacking energy: -293.876
Base-Backbone interact. energy: -1.994
local terms energy: -280.743385
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -72.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -843.445475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.445475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.445475 (E_RNA)
where:
Base-Base interactions energy: -567.246
where: short stacking energy: -268.921
Base-Backbone interact. energy: -2.396
local terms energy: -273.803932
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -60.763
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -75.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -832.099317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.099317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.099317 (E_RNA)
where:
Base-Base interactions energy: -584.866
where: short stacking energy: -249.381
Base-Backbone interact. energy: -1.307
local terms energy: -245.925858
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: -55.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -619.443853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.443853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.443853 (E_RNA)
where:
Base-Base interactions energy: -362.320
where: short stacking energy: -177.287
Base-Backbone interact. energy: 0.163
local terms energy: -257.286454
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -60.448
flat angles C4'-P-C4' energy: -61.155
flat angles P-C4'-P energy: -37.574
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -572.080721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.080721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.080721 (E_RNA)
where:
Base-Base interactions energy: -337.545
where: short stacking energy: -178.637
Base-Backbone interact. energy: -1.535
local terms energy: -232.999833
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -67.166
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -509.128106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.128106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.128106 (E_RNA)
where:
Base-Base interactions energy: -316.933
where: short stacking energy: -151.264
Base-Backbone interact. energy: -0.841
local terms energy: -191.353258
where:
bonds (distance) C4'-P energy: -41.774
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -57.330
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -492.027756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.027756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.027756 (E_RNA)
where:
Base-Base interactions energy: -288.644
where: short stacking energy: -152.671
Base-Backbone interact. energy: 0.468
local terms energy: -203.852128
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -47.131
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -328.375127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.375127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.375127 (E_RNA)
where:
Base-Base interactions energy: -173.415
where: short stacking energy: -88.891
Base-Backbone interact. energy: 0.565
local terms energy: -155.525489
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -37.485
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1013.012135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.012135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.012135 (E_RNA)
where:
Base-Base interactions energy: -708.343
where: short stacking energy: -301.314
Base-Backbone interact. energy: -1.588
local terms energy: -303.081732
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -60.873
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: -77.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -973.257676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.257676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.257676 (E_RNA)
where:
Base-Base interactions energy: -675.144
where: short stacking energy: -310.097
Base-Backbone interact. energy: -1.127
local terms energy: -296.986962
where:
bonds (distance) C4'-P energy: -62.667
bonds (distance) P-C4' energy: -57.427
flat angles C4'-P-C4' energy: -67.816
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -77.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -863.424000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.424000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.424000 (E_RNA)
where:
Base-Base interactions energy: -572.247
where: short stacking energy: -261.940
Base-Backbone interact. energy: 0.001
local terms energy: -291.177936
where:
bonds (distance) C4'-P energy: -57.729
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -66.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -870.425500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.425500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.425500 (E_RNA)
where:
Base-Base interactions energy: -576.000
where: short stacking energy: -254.157
Base-Backbone interact. energy: -0.478
local terms energy: -293.947840
where:
bonds (distance) C4'-P energy: -62.021
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -58.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -820.219683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.219683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.219683 (E_RNA)
where:
Base-Base interactions energy: -552.240
where: short stacking energy: -244.332
Base-Backbone interact. energy: -0.695
local terms energy: -267.284401
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -65.222
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -58.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -579.894169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.894169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.894169 (E_RNA)
where:
Base-Base interactions energy: -334.315
where: short stacking energy: -170.559
Base-Backbone interact. energy: -0.811
local terms energy: -244.767894
where:
bonds (distance) C4'-P energy: -62.987
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -50.116
flat angles P-C4'-P energy: -39.110
tors. eta vs tors. theta energy: -28.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -603.323058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.323058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.323058 (E_RNA)
where:
Base-Base interactions energy: -364.103
where: short stacking energy: -188.009
Base-Backbone interact. energy: -0.001
local terms energy: -239.219190
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -61.757
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -39.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -486.772487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.772487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.772487 (E_RNA)
where:
Base-Base interactions energy: -276.616
where: short stacking energy: -144.203
Base-Backbone interact. energy: -2.845
local terms energy: -207.311589
where:
bonds (distance) C4'-P energy: -53.219
bonds (distance) P-C4' energy: -59.429
flat angles C4'-P-C4' energy: -41.929
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -495.669465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.669465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.669465 (E_RNA)
where:
Base-Base interactions energy: -283.145
where: short stacking energy: -139.738
Base-Backbone interact. energy: 5.715
local terms energy: -218.239577
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -55.872
flat angles C4'-P-C4' energy: -46.267
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -307.815696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.815696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.815696 (E_RNA)
where:
Base-Base interactions energy: -154.663
where: short stacking energy: -99.765
Base-Backbone interact. energy: 0.493
local terms energy: -153.645981
where:
bonds (distance) C4'-P energy: -39.745
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1020.275908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.275908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.275908 (E_RNA)
where:
Base-Base interactions energy: -701.058
where: short stacking energy: -302.102
Base-Backbone interact. energy: -1.766
local terms energy: -317.451470
where:
bonds (distance) C4'-P energy: -66.335
bonds (distance) P-C4' energy: -60.417
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -49.803
tors. eta vs tors. theta energy: -75.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -948.353580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.353580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.353580 (E_RNA)
where:
Base-Base interactions energy: -665.345
where: short stacking energy: -290.882
Base-Backbone interact. energy: -1.296
local terms energy: -281.713057
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -72.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -882.764291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.764291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.764291 (E_RNA)
where:
Base-Base interactions energy: -590.494
where: short stacking energy: -281.263
Base-Backbone interact. energy: -3.325
local terms energy: -288.945559
where:
bonds (distance) C4'-P energy: -55.959
bonds (distance) P-C4' energy: -60.954
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -76.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -844.330382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.330382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.330382 (E_RNA)
where:
Base-Base interactions energy: -568.937
where: short stacking energy: -251.274
Base-Backbone interact. energy: 0.394
local terms energy: -275.787259
where:
bonds (distance) C4'-P energy: -54.436
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: -55.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -805.677223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.677223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.677223 (E_RNA)
where:
Base-Base interactions energy: -543.934
where: short stacking energy: -233.777
Base-Backbone interact. energy: -0.883
local terms energy: -260.859462
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -56.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -639.782929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.782929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.782929 (E_RNA)
where:
Base-Base interactions energy: -372.664
where: short stacking energy: -229.724
Base-Backbone interact. energy: -1.228
local terms energy: -265.891120
where:
bonds (distance) C4'-P energy: -60.458
bonds (distance) P-C4' energy: -58.729
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -59.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -598.314519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.314519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.314519 (E_RNA)
where:
Base-Base interactions energy: -384.031
where: short stacking energy: -190.161
Base-Backbone interact. energy: -0.511
local terms energy: -213.773164
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -47.654
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -33.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -526.570214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.570214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.570214 (E_RNA)
where:
Base-Base interactions energy: -313.139
where: short stacking energy: -153.076
Base-Backbone interact. energy: -2.543
local terms energy: -210.888446
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -47.640
flat angles C4'-P-C4' energy: -53.792
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -495.466247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.466247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.466247 (E_RNA)
where:
Base-Base interactions energy: -299.849
where: short stacking energy: -155.648
Base-Backbone interact. energy: -0.941
local terms energy: -194.676378
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -38.873
flat angles C4'-P-C4' energy: -49.500
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -318.493761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.493761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.493761 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -99.583
Base-Backbone interact. energy: -0.890
local terms energy: -166.560265
where:
bonds (distance) C4'-P energy: -42.221
bonds (distance) P-C4' energy: -53.527
flat angles C4'-P-C4' energy: -42.113
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1023.335837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.335837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.335837 (E_RNA)
where:
Base-Base interactions energy: -731.869
where: short stacking energy: -298.617
Base-Backbone interact. energy: -1.796
local terms energy: -289.671098
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -52.378
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -76.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -933.371591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.371591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.371591 (E_RNA)
where:
Base-Base interactions energy: -640.718
where: short stacking energy: -296.023
Base-Backbone interact. energy: 2.826
local terms energy: -295.479380
where:
bonds (distance) C4'-P energy: -63.469
bonds (distance) P-C4' energy: -62.525
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -71.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -859.413865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.413865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.413865 (E_RNA)
where:
Base-Base interactions energy: -588.800
where: short stacking energy: -266.381
Base-Backbone interact. energy: -1.833
local terms energy: -268.780389
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -54.386
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -67.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -878.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.470632 (E_RNA)
where:
Base-Base interactions energy: -596.298
where: short stacking energy: -285.956
Base-Backbone interact. energy: -1.299
local terms energy: -280.873298
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -59.567
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -74.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -797.685469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.685469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.685469 (E_RNA)
where:
Base-Base interactions energy: -552.339
where: short stacking energy: -245.678
Base-Backbone interact. energy: -1.424
local terms energy: -243.922632
where:
bonds (distance) C4'-P energy: -51.513
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -55.191
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -64.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -625.737649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.737649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.737649 (E_RNA)
where:
Base-Base interactions energy: -399.500
where: short stacking energy: -190.281
Base-Backbone interact. energy: 1.965
local terms energy: -228.202368
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -34.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -587.378129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.378129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.378129 (E_RNA)
where:
Base-Base interactions energy: -360.021
where: short stacking energy: -184.041
Base-Backbone interact. energy: 6.083
local terms energy: -233.440079
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -55.612
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -531.240085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.240085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.240085 (E_RNA)
where:
Base-Base interactions energy: -313.478
where: short stacking energy: -154.218
Base-Backbone interact. energy: -2.093
local terms energy: -215.669225
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -50.150
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -435.800187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.800187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.800187 (E_RNA)
where:
Base-Base interactions energy: -249.380
where: short stacking energy: -130.469
Base-Backbone interact. energy: 1.633
local terms energy: -188.053258
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -60.280
flat angles C4'-P-C4' energy: -45.102
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -332.253140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.253140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.253140 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -107.312
Base-Backbone interact. energy: 0.986
local terms energy: -172.622962
where:
bonds (distance) C4'-P energy: -48.521
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: 3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1017.739802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.739802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.739802 (E_RNA)
where:
Base-Base interactions energy: -698.772
where: short stacking energy: -292.011
Base-Backbone interact. energy: -1.280
local terms energy: -317.687658
where:
bonds (distance) C4'-P energy: -70.792
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -81.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -910.703393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.703393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.703393 (E_RNA)
where:
Base-Base interactions energy: -632.158
where: short stacking energy: -286.246
Base-Backbone interact. energy: -1.702
local terms energy: -276.843519
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -837.694215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.694215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.694215 (E_RNA)
where:
Base-Base interactions energy: -564.365
where: short stacking energy: -264.746
Base-Backbone interact. energy: -2.399
local terms energy: -270.930181
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -52.567
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -60.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -877.388764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.388764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.388764 (E_RNA)
where:
Base-Base interactions energy: -597.786
where: short stacking energy: -265.055
Base-Backbone interact. energy: -0.988
local terms energy: -278.614073
where:
bonds (distance) C4'-P energy: -55.009
bonds (distance) P-C4' energy: -56.983
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -73.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -788.870832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.870832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.870832 (E_RNA)
where:
Base-Base interactions energy: -513.467
where: short stacking energy: -228.133
Base-Backbone interact. energy: -3.140
local terms energy: -272.263917
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -46.198
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -67.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -641.264829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.264829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.264829 (E_RNA)
where:
Base-Base interactions energy: -416.879
where: short stacking energy: -194.837
Base-Backbone interact. energy: 0.781
local terms energy: -225.167281
where:
bonds (distance) C4'-P energy: -55.265
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -65.510
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -33.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -614.366665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.366665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.366665 (E_RNA)
where:
Base-Base interactions energy: -370.335
where: short stacking energy: -182.389
Base-Backbone interact. energy: -0.584
local terms energy: -243.447716
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -43.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -594.592655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.592655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.592655 (E_RNA)
where:
Base-Base interactions energy: -361.593
where: short stacking energy: -175.387
Base-Backbone interact. energy: 1.235
local terms energy: -234.235243
where:
bonds (distance) C4'-P energy: -56.554
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -50.303
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -38.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -447.301903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.301903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.301903 (E_RNA)
where:
Base-Base interactions energy: -246.991
where: short stacking energy: -122.755
Base-Backbone interact. energy: -1.330
local terms energy: -198.981248
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -327.510848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.510848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.510848 (E_RNA)
where:
Base-Base interactions energy: -165.142
where: short stacking energy: -111.123
Base-Backbone interact. energy: -0.799
local terms energy: -161.569618
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -46.227
flat angles P-C4'-P energy: -28.723
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1041.208513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.208513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.208513 (E_RNA)
where:
Base-Base interactions energy: -723.004
where: short stacking energy: -314.109
Base-Backbone interact. energy: -1.660
local terms energy: -316.544109
where:
bonds (distance) C4'-P energy: -62.172
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -67.416
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -79.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -942.882688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.882688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.882688 (E_RNA)
where:
Base-Base interactions energy: -657.171
where: short stacking energy: -301.342
Base-Backbone interact. energy: -1.490
local terms energy: -284.222497
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -55.597
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -45.092
tors. eta vs tors. theta energy: -74.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -869.342518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.342518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.342518 (E_RNA)
where:
Base-Base interactions energy: -581.327
where: short stacking energy: -281.380
Base-Backbone interact. energy: -1.172
local terms energy: -286.843634
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -78.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -884.930533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.930533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.930533 (E_RNA)
where:
Base-Base interactions energy: -609.259
where: short stacking energy: -254.517
Base-Backbone interact. energy: -1.296
local terms energy: -274.375617
where:
bonds (distance) C4'-P energy: -58.532
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -59.710
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -63.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -771.030854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.030854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.030854 (E_RNA)
where:
Base-Base interactions energy: -496.734
where: short stacking energy: -236.404
Base-Backbone interact. energy: -1.068
local terms energy: -273.228741
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -58.262
flat angles C4'-P-C4' energy: -62.933
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -57.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -637.597112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.597112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.597112 (E_RNA)
where:
Base-Base interactions energy: -393.276
where: short stacking energy: -175.128
Base-Backbone interact. energy: -1.035
local terms energy: -243.286554
where:
bonds (distance) C4'-P energy: -53.841
bonds (distance) P-C4' energy: -59.381
flat angles C4'-P-C4' energy: -63.758
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -30.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -681.522792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.522792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.522792 (E_RNA)
where:
Base-Base interactions energy: -417.488
where: short stacking energy: -217.110
Base-Backbone interact. energy: 0.189
local terms energy: -264.223211
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -60.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -606.956899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.956899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.956899 (E_RNA)
where:
Base-Base interactions energy: -389.288
where: short stacking energy: -180.146
Base-Backbone interact. energy: -0.646
local terms energy: -217.022903
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -60.855
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -415.850426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.850426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.850426 (E_RNA)
where:
Base-Base interactions energy: -239.016
where: short stacking energy: -131.590
Base-Backbone interact. energy: -0.738
local terms energy: -176.096053
where:
bonds (distance) C4'-P energy: -38.289
bonds (distance) P-C4' energy: -48.516
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -265.332540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.332540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.332540 (E_RNA)
where:
Base-Base interactions energy: -112.561
where: short stacking energy: -89.127
Base-Backbone interact. energy: 1.246
local terms energy: -154.017813
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -47.999
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: 15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1068.346760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.346760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.346760 (E_RNA)
where:
Base-Base interactions energy: -749.478
where: short stacking energy: -311.931
Base-Backbone interact. energy: -2.845
local terms energy: -316.023494
where:
bonds (distance) C4'-P energy: -67.490
bonds (distance) P-C4' energy: -58.629
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -82.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -946.817103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.817103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.817103 (E_RNA)
where:
Base-Base interactions energy: -641.152
where: short stacking energy: -282.514
Base-Backbone interact. energy: -0.730
local terms energy: -304.935019
where:
bonds (distance) C4'-P energy: -60.816
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -44.653
tors. eta vs tors. theta energy: -79.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -888.034242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.034242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.034242 (E_RNA)
where:
Base-Base interactions energy: -606.987
where: short stacking energy: -278.265
Base-Backbone interact. energy: -0.744
local terms energy: -280.303333
where:
bonds (distance) C4'-P energy: -54.106
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -65.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -810.193215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.193215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.193215 (E_RNA)
where:
Base-Base interactions energy: -540.508
where: short stacking energy: -240.744
Base-Backbone interact. energy: -0.887
local terms energy: -268.798182
where:
bonds (distance) C4'-P energy: -65.166
bonds (distance) P-C4' energy: -62.930
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -59.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -873.313811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.313811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.313811 (E_RNA)
where:
Base-Base interactions energy: -587.990
where: short stacking energy: -256.802
Base-Backbone interact. energy: -0.191
local terms energy: -285.133658
where:
bonds (distance) C4'-P energy: -58.595
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -63.668
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -66.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -681.120011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.120011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.120011 (E_RNA)
where:
Base-Base interactions energy: -429.195
where: short stacking energy: -214.561
Base-Backbone interact. energy: -1.000
local terms energy: -250.925438
where:
bonds (distance) C4'-P energy: -55.879
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -613.766718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.766718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.766718 (E_RNA)
where:
Base-Base interactions energy: -390.588
where: short stacking energy: -184.360
Base-Backbone interact. energy: -0.748
local terms energy: -222.430870
where:
bonds (distance) C4'-P energy: -47.515
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -50.811
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -42.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -635.074752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.074752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.074752 (E_RNA)
where:
Base-Base interactions energy: -416.995
where: short stacking energy: -187.795
Base-Backbone interact. energy: -0.552
local terms energy: -217.528392
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -52.477
flat angles P-C4'-P energy: -27.238
tors. eta vs tors. theta energy: -39.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -449.751238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.751238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.751238 (E_RNA)
where:
Base-Base interactions energy: -258.405
where: short stacking energy: -134.917
Base-Backbone interact. energy: -1.007
local terms energy: -190.338695
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -48.779
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -247.772258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.772258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.772258 (E_RNA)
where:
Base-Base interactions energy: -83.973
where: short stacking energy: -73.596
Base-Backbone interact. energy: 2.229
local terms energy: -166.028253
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: 10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1065.820367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.820367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.820367 (E_RNA)
where:
Base-Base interactions energy: -745.685
where: short stacking energy: -313.974
Base-Backbone interact. energy: -0.961
local terms energy: -319.173591
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -65.686
flat angles C4'-P-C4' energy: -67.865
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -88.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -963.143617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.143617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.143617 (E_RNA)
where:
Base-Base interactions energy: -661.504
where: short stacking energy: -293.303
Base-Backbone interact. energy: -1.772
local terms energy: -299.867936
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -70.127
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: -78.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -884.098405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.098405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.098405 (E_RNA)
where:
Base-Base interactions energy: -579.962
where: short stacking energy: -272.910
Base-Backbone interact. energy: -0.994
local terms energy: -303.142258
where:
bonds (distance) C4'-P energy: -62.566
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -64.270
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -75.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -829.256054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.256054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.256054 (E_RNA)
where:
Base-Base interactions energy: -549.934
where: short stacking energy: -262.854
Base-Backbone interact. energy: -1.309
local terms energy: -278.013301
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -68.007
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -71.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -852.674825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.674825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.674825 (E_RNA)
where:
Base-Base interactions energy: -583.712
where: short stacking energy: -262.667
Base-Backbone interact. energy: -0.278
local terms energy: -268.684819
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -60.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -704.160862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.160862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.160862 (E_RNA)
where:
Base-Base interactions energy: -455.307
where: short stacking energy: -229.782
Base-Backbone interact. energy: -0.015
local terms energy: -248.838395
where:
bonds (distance) C4'-P energy: -56.390
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -36.957
tors. eta vs tors. theta energy: -40.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -663.687109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.687109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.687109 (E_RNA)
where:
Base-Base interactions energy: -410.872
where: short stacking energy: -191.373
Base-Backbone interact. energy: -2.031
local terms energy: -250.783782
where:
bonds (distance) C4'-P energy: -61.834
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -40.736
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -635.444374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.444374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.444374 (E_RNA)
where:
Base-Base interactions energy: -392.316
where: short stacking energy: -192.248
Base-Backbone interact. energy: -1.289
local terms energy: -241.838974
where:
bonds (distance) C4'-P energy: -47.358
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -58.308
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: -38.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -438.160798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.160798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.160798 (E_RNA)
where:
Base-Base interactions energy: -264.933
where: short stacking energy: -136.107
Base-Backbone interact. energy: 2.470
local terms energy: -175.697888
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -265.189301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.189301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.189301 (E_RNA)
where:
Base-Base interactions energy: -104.744
where: short stacking energy: -56.151
Base-Backbone interact. energy: 0.082
local terms energy: -160.527134
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -43.662
flat angles C4'-P-C4' energy: -39.694
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: 7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1055.983935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.983935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.983935 (E_RNA)
where:
Base-Base interactions energy: -721.573
where: short stacking energy: -309.233
Base-Backbone interact. energy: -1.593
local terms energy: -332.818415
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -69.039
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -84.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -967.360515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.360515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.360515 (E_RNA)
where:
Base-Base interactions energy: -647.016
where: short stacking energy: -297.289
Base-Backbone interact. energy: -0.021
local terms energy: -320.323468
where:
bonds (distance) C4'-P energy: -57.726
bonds (distance) P-C4' energy: -70.240
flat angles C4'-P-C4' energy: -65.635
flat angles P-C4'-P energy: -45.671
tors. eta vs tors. theta energy: -81.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -918.512884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.512884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.512884 (E_RNA)
where:
Base-Base interactions energy: -624.749
where: short stacking energy: -287.266
Base-Backbone interact. energy: -0.665
local terms energy: -293.098847
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -60.359
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -919.159225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.159225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.159225 (E_RNA)
where:
Base-Base interactions energy: -623.294
where: short stacking energy: -263.475
Base-Backbone interact. energy: -1.921
local terms energy: -293.943890
where:
bonds (distance) C4'-P energy: -59.230
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -64.645
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -79.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -820.545623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.545623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.545623 (E_RNA)
where:
Base-Base interactions energy: -545.734
where: short stacking energy: -265.016
Base-Backbone interact. energy: -3.172
local terms energy: -271.640408
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -60.798
flat angles C4'-P-C4' energy: -56.596
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -65.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -757.095398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.095398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.095398 (E_RNA)
where:
Base-Base interactions energy: -499.776
where: short stacking energy: -242.494
Base-Backbone interact. energy: -0.612
local terms energy: -256.707375
where:
bonds (distance) C4'-P energy: -44.059
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -60.046
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -654.687205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.687205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.687205 (E_RNA)
where:
Base-Base interactions energy: -425.554
where: short stacking energy: -203.740
Base-Backbone interact. energy: -2.215
local terms energy: -226.917925
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -40.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -649.482209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.482209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.482209 (E_RNA)
where:
Base-Base interactions energy: -400.853
where: short stacking energy: -197.257
Base-Backbone interact. energy: -1.115
local terms energy: -247.514226
where:
bonds (distance) C4'-P energy: -47.190
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -465.924389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.924389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.924389 (E_RNA)
where:
Base-Base interactions energy: -284.008
where: short stacking energy: -132.266
Base-Backbone interact. energy: -1.154
local terms energy: -180.762423
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -47.401
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -300.751072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.751072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.751072 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -83.263
Base-Backbone interact. energy: -1.652
local terms energy: -180.391392
where:
bonds (distance) C4'-P energy: -58.058
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: 4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1046.152458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.152458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.152458 (E_RNA)
where:
Base-Base interactions energy: -718.416
where: short stacking energy: -304.145
Base-Backbone interact. energy: -2.064
local terms energy: -325.672841
where:
bonds (distance) C4'-P energy: -62.338
bonds (distance) P-C4' energy: -58.621
flat angles C4'-P-C4' energy: -67.829
flat angles P-C4'-P energy: -50.993
tors. eta vs tors. theta energy: -85.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -983.963995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.963995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.963995 (E_RNA)
where:
Base-Base interactions energy: -675.065
where: short stacking energy: -323.422
Base-Backbone interact. energy: 1.815
local terms energy: -310.713612
where:
bonds (distance) C4'-P energy: -54.692
bonds (distance) P-C4' energy: -54.222
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -92.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -929.842220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.842220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.842220 (E_RNA)
where:
Base-Base interactions energy: -634.597
where: short stacking energy: -269.259
Base-Backbone interact. energy: -1.640
local terms energy: -293.605041
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -63.596
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -75.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -910.370979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.370979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.370979 (E_RNA)
where:
Base-Base interactions energy: -622.507
where: short stacking energy: -292.915
Base-Backbone interact. energy: -1.265
local terms energy: -286.599113
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -58.606
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -75.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -838.107655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.107655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.107655 (E_RNA)
where:
Base-Base interactions energy: -588.751
where: short stacking energy: -252.281
Base-Backbone interact. energy: -0.241
local terms energy: -249.115260
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -55.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -748.194760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.194760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.194760 (E_RNA)
where:
Base-Base interactions energy: -482.171
where: short stacking energy: -237.343
Base-Backbone interact. energy: -1.086
local terms energy: -264.937882
where:
bonds (distance) C4'-P energy: -60.042
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -60.092
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: -54.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -702.098092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.098092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.098092 (E_RNA)
where:
Base-Base interactions energy: -463.744
where: short stacking energy: -206.634
Base-Backbone interact. energy: 1.847
local terms energy: -240.200927
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -54.363
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -596.912700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.912700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.912700 (E_RNA)
where:
Base-Base interactions energy: -385.897
where: short stacking energy: -192.009
Base-Backbone interact. energy: -0.680
local terms energy: -210.335522
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -37.305
flat angles C4'-P-C4' energy: -56.082
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -39.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -487.784044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.784044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.784044 (E_RNA)
where:
Base-Base interactions energy: -284.195
where: short stacking energy: -130.186
Base-Backbone interact. energy: -1.980
local terms energy: -201.609421
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -45.477
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -22.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -339.427148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.427148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.427148 (E_RNA)
where:
Base-Base interactions energy: -178.058
where: short stacking energy: -103.025
Base-Backbone interact. energy: -0.699
local terms energy: -160.669923
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -46.538
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: 7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1037.599658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.599658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.599658 (E_RNA)
where:
Base-Base interactions energy: -720.221
where: short stacking energy: -294.038
Base-Backbone interact. energy: -0.394
local terms energy: -316.984798
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -66.372
flat angles P-C4'-P energy: -49.475
tors. eta vs tors. theta energy: -79.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -992.156373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.156373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.156373 (E_RNA)
where:
Base-Base interactions energy: -673.210
where: short stacking energy: -306.832
Base-Backbone interact. energy: 0.662
local terms energy: -319.607888
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -64.282
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: -86.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -927.952452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.952452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.952452 (E_RNA)
where:
Base-Base interactions energy: -638.257
where: short stacking energy: -279.776
Base-Backbone interact. energy: -2.118
local terms energy: -287.577742
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -60.941
flat angles C4'-P-C4' energy: -59.681
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -75.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -858.979013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.979013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.979013 (E_RNA)
where:
Base-Base interactions energy: -578.811
where: short stacking energy: -247.946
Base-Backbone interact. energy: -1.059
local terms energy: -279.108732
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -47.441
tors. eta vs tors. theta energy: -66.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -868.225542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.225542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.225542 (E_RNA)
where:
Base-Base interactions energy: -587.605
where: short stacking energy: -260.223
Base-Backbone interact. energy: -0.416
local terms energy: -280.204137
where:
bonds (distance) C4'-P energy: -58.368
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -69.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -735.998788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.998788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.998788 (E_RNA)
where:
Base-Base interactions energy: -486.994
where: short stacking energy: -231.960
Base-Backbone interact. energy: -3.459
local terms energy: -245.546096
where:
bonds (distance) C4'-P energy: -52.564
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -56.666
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -61.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -740.343007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.343007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.343007 (E_RNA)
where:
Base-Base interactions energy: -477.285
where: short stacking energy: -222.661
Base-Backbone interact. energy: 0.654
local terms energy: -263.712019
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -60.989
flat angles C4'-P-C4' energy: -61.408
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -55.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -610.810424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.810424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.810424 (E_RNA)
where:
Base-Base interactions energy: -388.247
where: short stacking energy: -194.404
Base-Backbone interact. energy: -0.980
local terms energy: -221.583440
where:
bonds (distance) C4'-P energy: -58.272
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -43.694
flat angles P-C4'-P energy: -34.583
tors. eta vs tors. theta energy: -37.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -491.460941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.460941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.460941 (E_RNA)
where:
Base-Base interactions energy: -291.128
where: short stacking energy: -146.390
Base-Backbone interact. energy: 1.725
local terms energy: -202.057549
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -53.949
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -339.796841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.796841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.796841 (E_RNA)
where:
Base-Base interactions energy: -187.495
where: short stacking energy: -104.164
Base-Backbone interact. energy: 1.783
local terms energy: -154.085724
where:
bonds (distance) C4'-P energy: -38.760
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1000.070514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.070514 (E_RNA)
where:
Base-Base interactions energy: -682.123
where: short stacking energy: -313.833
Base-Backbone interact. energy: -1.740
local terms energy: -316.207017
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -76.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1039.095957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.095957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.095957 (E_RNA)
where:
Base-Base interactions energy: -720.464
where: short stacking energy: -295.740
Base-Backbone interact. energy: -0.420
local terms energy: -318.211593
where:
bonds (distance) C4'-P energy: -58.587
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -71.725
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -84.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -925.926766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.926766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.926766 (E_RNA)
where:
Base-Base interactions energy: -629.813
where: short stacking energy: -278.846
Base-Backbone interact. energy: -2.498
local terms energy: -293.615820
where:
bonds (distance) C4'-P energy: -55.634
bonds (distance) P-C4' energy: -55.403
flat angles C4'-P-C4' energy: -67.807
flat angles P-C4'-P energy: -43.163
tors. eta vs tors. theta energy: -71.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -858.329863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.329863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.329863 (E_RNA)
where:
Base-Base interactions energy: -590.823
where: short stacking energy: -256.476
Base-Backbone interact. energy: -3.717
local terms energy: -263.790041
where:
bonds (distance) C4'-P energy: -46.877
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -69.197
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -62.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -847.354708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.354708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.354708 (E_RNA)
where:
Base-Base interactions energy: -566.001
where: short stacking energy: -258.225
Base-Backbone interact. energy: -3.657
local terms energy: -277.696921
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -61.971
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -62.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -744.599307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.599307 (E_RNA)
where:
Base-Base interactions energy: -481.658
where: short stacking energy: -230.629
Base-Backbone interact. energy: -1.338
local terms energy: -261.603841
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -53.844
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -59.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -674.720084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.720084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.720084 (E_RNA)
where:
Base-Base interactions energy: -438.306
where: short stacking energy: -202.526
Base-Backbone interact. energy: -1.234
local terms energy: -235.179930
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -53.190
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -39.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -595.940223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.940223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.940223 (E_RNA)
where:
Base-Base interactions energy: -366.290
where: short stacking energy: -169.181
Base-Backbone interact. energy: -1.928
local terms energy: -227.722205
where:
bonds (distance) C4'-P energy: -44.209
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -58.823
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -31.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -477.986886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.986886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.986886 (E_RNA)
where:
Base-Base interactions energy: -275.568
where: short stacking energy: -143.899
Base-Backbone interact. energy: 1.707
local terms energy: -204.126434
where:
bonds (distance) C4'-P energy: -38.263
bonds (distance) P-C4' energy: -53.635
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -367.517462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.517462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.517462 (E_RNA)
where:
Base-Base interactions energy: -193.808
where: short stacking energy: -101.183
Base-Backbone interact. energy: 1.665
local terms energy: -175.374974
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -49.944
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1015.572921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.572921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.572921 (E_RNA)
where:
Base-Base interactions energy: -685.273
where: short stacking energy: -311.721
Base-Backbone interact. energy: 0.587
local terms energy: -330.886337
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -68.408
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -87.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1031.395999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.395999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.395999 (E_RNA)
where:
Base-Base interactions energy: -737.227
where: short stacking energy: -312.182
Base-Backbone interact. energy: -1.756
local terms energy: -292.412749
where:
bonds (distance) C4'-P energy: -53.063
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -64.859
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -77.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -926.464192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.464192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.464192 (E_RNA)
where:
Base-Base interactions energy: -641.513
where: short stacking energy: -281.542
Base-Backbone interact. energy: -0.852
local terms energy: -284.099463
where:
bonds (distance) C4'-P energy: -57.022
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -62.898
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -74.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -890.076689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.076689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.076689 (E_RNA)
where:
Base-Base interactions energy: -599.127
where: short stacking energy: -274.116
Base-Backbone interact. energy: -0.494
local terms energy: -290.456043
where:
bonds (distance) C4'-P energy: -55.022
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -78.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -808.894785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.894785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.894785 (E_RNA)
where:
Base-Base interactions energy: -556.176
where: short stacking energy: -224.024
Base-Backbone interact. energy: 1.504
local terms energy: -254.222529
where:
bonds (distance) C4'-P energy: -47.169
bonds (distance) P-C4' energy: -56.014
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -49.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -754.467408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.467408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.467408 (E_RNA)
where:
Base-Base interactions energy: -510.611
where: short stacking energy: -228.335
Base-Backbone interact. energy: 0.181
local terms energy: -244.037205
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -48.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -705.474995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.474995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.474995 (E_RNA)
where:
Base-Base interactions energy: -464.245
where: short stacking energy: -226.460
Base-Backbone interact. energy: -0.924
local terms energy: -240.305868
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -56.205
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -60.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -605.521013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.521013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.521013 (E_RNA)
where:
Base-Base interactions energy: -406.946
where: short stacking energy: -186.135
Base-Backbone interact. energy: 0.338
local terms energy: -198.913666
where:
bonds (distance) C4'-P energy: -50.613
bonds (distance) P-C4' energy: -48.228
flat angles C4'-P-C4' energy: -39.228
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -32.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -509.304233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.304233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.304233 (E_RNA)
where:
Base-Base interactions energy: -298.105
where: short stacking energy: -166.495
Base-Backbone interact. energy: -0.770
local terms energy: -210.428563
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -364.595245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.595245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.595245 (E_RNA)
where:
Base-Base interactions energy: -191.431
where: short stacking energy: -128.929
Base-Backbone interact. energy: -0.456
local terms energy: -172.708410
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -52.834
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1062.432341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.432341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.432341 (E_RNA)
where:
Base-Base interactions energy: -741.054
where: short stacking energy: -315.957
Base-Backbone interact. energy: -1.481
local terms energy: -319.897233
where:
bonds (distance) C4'-P energy: -63.044
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -86.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1005.122118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.122118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.122118 (E_RNA)
where:
Base-Base interactions energy: -693.908
where: short stacking energy: -318.692
Base-Backbone interact. energy: 1.292
local terms energy: -312.506628
where:
bonds (distance) C4'-P energy: -59.318
bonds (distance) P-C4' energy: -55.424
flat angles C4'-P-C4' energy: -72.123
flat angles P-C4'-P energy: -36.356
tors. eta vs tors. theta energy: -89.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -957.027525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.027525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.027525 (E_RNA)
where:
Base-Base interactions energy: -647.302
where: short stacking energy: -294.341
Base-Backbone interact. energy: 1.604
local terms energy: -311.329616
where:
bonds (distance) C4'-P energy: -58.254
bonds (distance) P-C4' energy: -64.651
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -79.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -895.811249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.811249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.811249 (E_RNA)
where:
Base-Base interactions energy: -614.162
where: short stacking energy: -286.884
Base-Backbone interact. energy: -0.995
local terms energy: -280.653706
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -60.105
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -74.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -828.556449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.556449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.556449 (E_RNA)
where:
Base-Base interactions energy: -549.618
where: short stacking energy: -242.302
Base-Backbone interact. energy: -1.844
local terms energy: -277.094250
where:
bonds (distance) C4'-P energy: -59.561
bonds (distance) P-C4' energy: -52.419
flat angles C4'-P-C4' energy: -65.589
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -62.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -741.027729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.027729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.027729 (E_RNA)
where:
Base-Base interactions energy: -470.028
where: short stacking energy: -230.530
Base-Backbone interact. energy: -1.136
local terms energy: -269.863878
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -66.917
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -58.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -716.663650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.663650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.663650 (E_RNA)
where:
Base-Base interactions energy: -476.021
where: short stacking energy: -217.692
Base-Backbone interact. energy: 0.116
local terms energy: -240.758428
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -42.419
flat angles C4'-P-C4' energy: -53.179
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -59.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -658.251763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.251763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.251763 (E_RNA)
where:
Base-Base interactions energy: -410.973
where: short stacking energy: -198.148
Base-Backbone interact. energy: -1.708
local terms energy: -245.570412
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -52.334
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: -52.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -474.870605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.870605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.870605 (E_RNA)
where:
Base-Base interactions energy: -290.287
where: short stacking energy: -134.719
Base-Backbone interact. energy: -1.908
local terms energy: -182.675903
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -51.032
flat angles C4'-P-C4' energy: -44.805
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -402.298748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.298748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.298748 (E_RNA)
where:
Base-Base interactions energy: -208.375
where: short stacking energy: -109.341
Base-Backbone interact. energy: -3.157
local terms energy: -190.767426
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -56.368
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -31.429
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1077.688481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.688481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.688481 (E_RNA)
where:
Base-Base interactions energy: -752.668
where: short stacking energy: -329.323
Base-Backbone interact. energy: -1.350
local terms energy: -323.670772
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -63.115
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -88.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -997.846079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.846079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.846079 (E_RNA)
where:
Base-Base interactions energy: -680.249
where: short stacking energy: -291.820
Base-Backbone interact. energy: -0.261
local terms energy: -317.336909
where:
bonds (distance) C4'-P energy: -62.279
bonds (distance) P-C4' energy: -60.880
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -79.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -972.504618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.504618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.504618 (E_RNA)
where:
Base-Base interactions energy: -672.489
where: short stacking energy: -291.243
Base-Backbone interact. energy: -2.616
local terms energy: -297.400241
where:
bonds (distance) C4'-P energy: -59.133
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -67.017
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -830.771546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.771546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.771546 (E_RNA)
where:
Base-Base interactions energy: -553.791
where: short stacking energy: -237.473
Base-Backbone interact. energy: -1.633
local terms energy: -275.347588
where:
bonds (distance) C4'-P energy: -49.470
bonds (distance) P-C4' energy: -64.910
flat angles C4'-P-C4' energy: -67.726
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -54.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -872.098900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.098900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.098900 (E_RNA)
where:
Base-Base interactions energy: -596.449
where: short stacking energy: -270.442
Base-Backbone interact. energy: -1.301
local terms energy: -274.348806
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -53.579
flat angles C4'-P-C4' energy: -58.501
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -66.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -788.835829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.835829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.835829 (E_RNA)
where:
Base-Base interactions energy: -529.490
where: short stacking energy: -233.149
Base-Backbone interact. energy: -2.816
local terms energy: -256.530270
where:
bonds (distance) C4'-P energy: -58.037
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -62.190
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -59.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -709.989505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.989505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.989505 (E_RNA)
where:
Base-Base interactions energy: -461.573
where: short stacking energy: -205.954
Base-Backbone interact. energy: -1.146
local terms energy: -247.271275
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -61.362
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -57.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -612.177845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.177845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.177845 (E_RNA)
where:
Base-Base interactions energy: -393.021
where: short stacking energy: -184.354
Base-Backbone interact. energy: -2.306
local terms energy: -216.850919
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -39.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -488.822681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.822681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.822681 (E_RNA)
where:
Base-Base interactions energy: -265.973
where: short stacking energy: -135.606
Base-Backbone interact. energy: -1.461
local terms energy: -221.388673
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -29.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -379.154941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.154941 (E_RNA)
where:
Base-Base interactions energy: -198.593
where: short stacking energy: -111.475
Base-Backbone interact. energy: -1.171
local terms energy: -179.391349
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -33.428
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1091.639898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.639898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.639898 (E_RNA)
where:
Base-Base interactions energy: -758.889
where: short stacking energy: -328.510
Base-Backbone interact. energy: -1.218
local terms energy: -331.533164
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -92.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1022.213758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.213758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.213758 (E_RNA)
where:
Base-Base interactions energy: -702.882
where: short stacking energy: -333.944
Base-Backbone interact. energy: 0.115
local terms energy: -319.446415
where:
bonds (distance) C4'-P energy: -59.048
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -71.430
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -92.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -954.581631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.581631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.581631 (E_RNA)
where:
Base-Base interactions energy: -673.330
where: short stacking energy: -289.123
Base-Backbone interact. energy: -1.997
local terms energy: -279.254641
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -56.533
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -73.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -853.424849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.424849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.424849 (E_RNA)
where:
Base-Base interactions energy: -581.042
where: short stacking energy: -263.597
Base-Backbone interact. energy: -0.775
local terms energy: -271.607757
where:
bonds (distance) C4'-P energy: -56.228
bonds (distance) P-C4' energy: -57.365
flat angles C4'-P-C4' energy: -62.153
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -59.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -854.969872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.969872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.969872 (E_RNA)
where:
Base-Base interactions energy: -586.661
where: short stacking energy: -243.253
Base-Backbone interact. energy: 1.112
local terms energy: -269.421133
where:
bonds (distance) C4'-P energy: -59.151
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -58.095
flat angles P-C4'-P energy: -27.518
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -851.944349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.944349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.944349 (E_RNA)
where:
Base-Base interactions energy: -583.593
where: short stacking energy: -243.081
Base-Backbone interact. energy: -0.320
local terms energy: -268.031736
where:
bonds (distance) C4'-P energy: -47.226
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -65.877
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -60.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -694.731833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.731833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.731833 (E_RNA)
where:
Base-Base interactions energy: -472.565
where: short stacking energy: -226.122
Base-Backbone interact. energy: -0.920
local terms energy: -221.247271
where:
bonds (distance) C4'-P energy: -46.747
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -53.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -609.921832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.921832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.921832 (E_RNA)
where:
Base-Base interactions energy: -381.059
where: short stacking energy: -190.753
Base-Backbone interact. energy: 5.982
local terms energy: -234.844486
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -43.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -485.497688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.497688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.497688 (E_RNA)
where:
Base-Base interactions energy: -304.483
where: short stacking energy: -138.397
Base-Backbone interact. energy: -1.571
local terms energy: -179.443136
where:
bonds (distance) C4'-P energy: -43.556
bonds (distance) P-C4' energy: -38.313
flat angles C4'-P-C4' energy: -45.326
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -331.571805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.571805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.571805 (E_RNA)
where:
Base-Base interactions energy: -163.514
where: short stacking energy: -87.443
Base-Backbone interact. energy: -1.002
local terms energy: -167.056146
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -53.145
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: 10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1065.802695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.802695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.802695 (E_RNA)
where:
Base-Base interactions energy: -738.229
where: short stacking energy: -324.800
Base-Backbone interact. energy: -0.642
local terms energy: -326.932126
where:
bonds (distance) C4'-P energy: -60.215
bonds (distance) P-C4' energy: -62.126
flat angles C4'-P-C4' energy: -66.453
flat angles P-C4'-P energy: -46.887
tors. eta vs tors. theta energy: -91.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1029.711772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.711772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.711772 (E_RNA)
where:
Base-Base interactions energy: -710.603
where: short stacking energy: -308.354
Base-Backbone interact. energy: 0.662
local terms energy: -319.771218
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -66.015
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -88.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -956.607791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.607791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.607791 (E_RNA)
where:
Base-Base interactions energy: -640.792
where: short stacking energy: -285.426
Base-Backbone interact. energy: -1.836
local terms energy: -313.979954
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -60.798
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -53.408
tors. eta vs tors. theta energy: -79.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -881.414041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.414041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.414041 (E_RNA)
where:
Base-Base interactions energy: -605.110
where: short stacking energy: -271.887
Base-Backbone interact. energy: -1.568
local terms energy: -274.736047
where:
bonds (distance) C4'-P energy: -53.734
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -68.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -841.569294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.569294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.569294 (E_RNA)
where:
Base-Base interactions energy: -569.983
where: short stacking energy: -237.760
Base-Backbone interact. energy: -2.161
local terms energy: -269.426098
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -64.682
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -840.486492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.486492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.486492 (E_RNA)
where:
Base-Base interactions energy: -584.571
where: short stacking energy: -260.863
Base-Backbone interact. energy: -1.185
local terms energy: -254.730636
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -62.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -675.363938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.363938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.363938 (E_RNA)
where:
Base-Base interactions energy: -418.825
where: short stacking energy: -187.453
Base-Backbone interact. energy: -1.104
local terms energy: -255.435364
where:
bonds (distance) C4'-P energy: -57.576
bonds (distance) P-C4' energy: -66.520
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -47.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -587.350933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.350933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.350933 (E_RNA)
where:
Base-Base interactions energy: -377.101
where: short stacking energy: -159.575
Base-Backbone interact. energy: -2.209
local terms energy: -208.041097
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -52.121
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -457.315071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.315071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.315071 (E_RNA)
where:
Base-Base interactions energy: -258.849
where: short stacking energy: -144.310
Base-Backbone interact. energy: -0.459
local terms energy: -198.007088
where:
bonds (distance) C4'-P energy: -41.296
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -44.815
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -321.529802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.529802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.529802 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -92.828
Base-Backbone interact. energy: -1.375
local terms energy: -182.278043
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -58.053
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1074.111209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.111209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.111209 (E_RNA)
where:
Base-Base interactions energy: -728.744
where: short stacking energy: -310.378
Base-Backbone interact. energy: -2.563
local terms energy: -342.804770
where:
bonds (distance) C4'-P energy: -65.339
bonds (distance) P-C4' energy: -62.790
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -58.978
tors. eta vs tors. theta energy: -83.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1018.092939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.092939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.092939 (E_RNA)
where:
Base-Base interactions energy: -687.702
where: short stacking energy: -332.815
Base-Backbone interact. energy: 0.517
local terms energy: -330.907079
where:
bonds (distance) C4'-P energy: -62.137
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -96.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -926.119602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.119602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.119602 (E_RNA)
where:
Base-Base interactions energy: -653.299
where: short stacking energy: -281.296
Base-Backbone interact. energy: -1.942
local terms energy: -270.879111
where:
bonds (distance) C4'-P energy: -41.442
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -72.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -929.987518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.987518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.987518 (E_RNA)
where:
Base-Base interactions energy: -635.857
where: short stacking energy: -285.433
Base-Backbone interact. energy: -0.973
local terms energy: -293.157340
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -78.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -863.548324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.548324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.548324 (E_RNA)
where:
Base-Base interactions energy: -596.112
where: short stacking energy: -251.530
Base-Backbone interact. energy: -2.135
local terms energy: -265.301793
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -53.914
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -70.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -873.009691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.009691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.009691 (E_RNA)
where:
Base-Base interactions energy: -595.008
where: short stacking energy: -257.413
Base-Backbone interact. energy: -2.634
local terms energy: -275.367429
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -61.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -659.980328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.980328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.980328 (E_RNA)
where:
Base-Base interactions energy: -410.124
where: short stacking energy: -194.774
Base-Backbone interact. energy: 0.172
local terms energy: -250.027461
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -66.103
flat angles C4'-P-C4' energy: -55.832
flat angles P-C4'-P energy: -35.583
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -601.892130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.892130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.892130 (E_RNA)
where:
Base-Base interactions energy: -376.008
where: short stacking energy: -189.321
Base-Backbone interact. energy: -0.318
local terms energy: -225.565729
where:
bonds (distance) C4'-P energy: -41.707
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -50.949
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -48.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -360.308452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.308452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.308452 (E_RNA)
where:
Base-Base interactions energy: -179.053
where: short stacking energy: -105.095
Base-Backbone interact. energy: 1.242
local terms energy: -182.497266
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -403.891255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.891255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.891255 (E_RNA)
where:
Base-Base interactions energy: -198.623
where: short stacking energy: -110.711
Base-Backbone interact. energy: -3.473
local terms energy: -201.795646
where:
bonds (distance) C4'-P energy: -51.571
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1073.304421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.304421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.304421 (E_RNA)
where:
Base-Base interactions energy: -730.951
where: short stacking energy: -321.427
Base-Backbone interact. energy: -0.734
local terms energy: -341.618605
where:
bonds (distance) C4'-P energy: -61.189
bonds (distance) P-C4' energy: -69.818
flat angles C4'-P-C4' energy: -70.415
flat angles P-C4'-P energy: -50.249
tors. eta vs tors. theta energy: -89.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -939.146351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.146351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.146351 (E_RNA)
where:
Base-Base interactions energy: -635.573
where: short stacking energy: -281.788
Base-Backbone interact. energy: -1.587
local terms energy: -301.986258
where:
bonds (distance) C4'-P energy: -51.060
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -971.256238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.256238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.256238 (E_RNA)
where:
Base-Base interactions energy: -657.263
where: short stacking energy: -291.730
Base-Backbone interact. energy: -0.765
local terms energy: -313.227848
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -61.540
flat angles C4'-P-C4' energy: -65.307
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -85.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -947.146356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.146356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.146356 (E_RNA)
where:
Base-Base interactions energy: -649.569
where: short stacking energy: -291.657
Base-Backbone interact. energy: -2.763
local terms energy: -294.814462
where:
bonds (distance) C4'-P energy: -48.748
bonds (distance) P-C4' energy: -51.225
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -88.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -859.890122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.890122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.890122 (E_RNA)
where:
Base-Base interactions energy: -597.730
where: short stacking energy: -273.570
Base-Backbone interact. energy: -1.573
local terms energy: -260.587572
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -60.595
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -74.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -832.874837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.874837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.874837 (E_RNA)
where:
Base-Base interactions energy: -588.514
where: short stacking energy: -244.204
Base-Backbone interact. energy: -2.522
local terms energy: -241.838797
where:
bonds (distance) C4'-P energy: -47.741
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -50.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -679.243071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.243071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.243071 (E_RNA)
where:
Base-Base interactions energy: -438.184
where: short stacking energy: -214.915
Base-Backbone interact. energy: -1.225
local terms energy: -239.833256
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -29.066
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -566.412737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.412737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.412737 (E_RNA)
where:
Base-Base interactions energy: -349.371
where: short stacking energy: -165.661
Base-Backbone interact. energy: -0.915
local terms energy: -216.126827
where:
bonds (distance) C4'-P energy: -47.853
bonds (distance) P-C4' energy: -55.634
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -25.192
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -353.372977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.372977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.372977 (E_RNA)
where:
Base-Base interactions energy: -187.336
where: short stacking energy: -110.021
Base-Backbone interact. energy: -1.664
local terms energy: -164.372857
where:
bonds (distance) C4'-P energy: -38.677
bonds (distance) P-C4' energy: -60.731
flat angles C4'-P-C4' energy: -34.323
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: 3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -394.003309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.003309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.003309 (E_RNA)
where:
Base-Base interactions energy: -205.307
where: short stacking energy: -111.750
Base-Backbone interact. energy: -2.100
local terms energy: -186.596120
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -26.838
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1083.771048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.771048 (E_RNA)
where:
Base-Base interactions energy: -751.568
where: short stacking energy: -321.070
Base-Backbone interact. energy: -1.355
local terms energy: -330.848426
where:
bonds (distance) C4'-P energy: -63.194
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -71.926
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -89.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -959.031764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.031764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.031764 (E_RNA)
where:
Base-Base interactions energy: -658.733
where: short stacking energy: -282.313
Base-Backbone interact. energy: -0.850
local terms energy: -299.448712
where:
bonds (distance) C4'-P energy: -61.593
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -67.444
flat angles P-C4'-P energy: -39.443
tors. eta vs tors. theta energy: -73.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -971.640284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.640284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.640284 (E_RNA)
where:
Base-Base interactions energy: -675.573
where: short stacking energy: -305.806
Base-Backbone interact. energy: 1.998
local terms energy: -298.066190
where:
bonds (distance) C4'-P energy: -54.859
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -61.784
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -89.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -932.120515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.120515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.120515 (E_RNA)
where:
Base-Base interactions energy: -645.110
where: short stacking energy: -304.247
Base-Backbone interact. energy: -2.700
local terms energy: -284.310759
where:
bonds (distance) C4'-P energy: -53.597
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -33.577
tors. eta vs tors. theta energy: -82.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -817.167530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.167530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.167530 (E_RNA)
where:
Base-Base interactions energy: -548.479
where: short stacking energy: -244.377
Base-Backbone interact. energy: 2.429
local terms energy: -271.117297
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -64.410
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -68.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -827.312192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.312192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.312192 (E_RNA)
where:
Base-Base interactions energy: -583.988
where: short stacking energy: -235.221
Base-Backbone interact. energy: -2.107
local terms energy: -241.216570
where:
bonds (distance) C4'-P energy: -48.518
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -679.248465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.248465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.248465 (E_RNA)
where:
Base-Base interactions energy: -438.848
where: short stacking energy: -201.456
Base-Backbone interact. energy: -0.709
local terms energy: -239.691400
where:
bonds (distance) C4'-P energy: -51.365
bonds (distance) P-C4' energy: -50.271
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -48.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -581.672670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.672670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.672670 (E_RNA)
where:
Base-Base interactions energy: -375.107
where: short stacking energy: -172.836
Base-Backbone interact. energy: -0.736
local terms energy: -205.829686
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -54.694
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -493.357112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.357112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.357112 (E_RNA)
where:
Base-Base interactions energy: -290.780
where: short stacking energy: -129.092
Base-Backbone interact. energy: -0.214
local terms energy: -202.362532
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -53.897
flat angles P-C4'-P energy: -33.276
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -329.390128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.390128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.390128 (E_RNA)
where:
Base-Base interactions energy: -146.089
where: short stacking energy: -76.948
Base-Backbone interact. energy: 1.623
local terms energy: -184.924250
where:
bonds (distance) C4'-P energy: -39.424
bonds (distance) P-C4' energy: -63.746
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1071.859035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.859035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.859035 (E_RNA)
where:
Base-Base interactions energy: -743.380
where: short stacking energy: -324.801
Base-Backbone interact. energy: 1.358
local terms energy: -329.836437
where:
bonds (distance) C4'-P energy: -62.655
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -72.794
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -93.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -995.778274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.778274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.778274 (E_RNA)
where:
Base-Base interactions energy: -668.535
where: short stacking energy: -308.133
Base-Backbone interact. energy: -1.476
local terms energy: -325.767797
where:
bonds (distance) C4'-P energy: -61.034
bonds (distance) P-C4' energy: -67.444
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -87.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -949.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.014386 (E_RNA)
where:
Base-Base interactions energy: -642.341
where: short stacking energy: -290.857
Base-Backbone interact. energy: -0.539
local terms energy: -306.134917
where:
bonds (distance) C4'-P energy: -57.890
bonds (distance) P-C4' energy: -67.076
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -76.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -937.223694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.223694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.223694 (E_RNA)
where:
Base-Base interactions energy: -647.489
where: short stacking energy: -282.693
Base-Backbone interact. energy: -1.216
local terms energy: -288.519576
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -78.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -815.531356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.531356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.531356 (E_RNA)
where:
Base-Base interactions energy: -536.992
where: short stacking energy: -235.723
Base-Backbone interact. energy: -1.943
local terms energy: -276.596382
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -63.840
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -50.732
tors. eta vs tors. theta energy: -60.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -820.728997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.728997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.728997 (E_RNA)
where:
Base-Base interactions energy: -553.862
where: short stacking energy: -234.419
Base-Backbone interact. energy: 0.783
local terms energy: -267.650902
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -62.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -676.745871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.745871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.745871 (E_RNA)
where:
Base-Base interactions energy: -433.594
where: short stacking energy: -204.550
Base-Backbone interact. energy: -1.474
local terms energy: -241.678072
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -52.096
flat angles P-C4'-P energy: -30.252
tors. eta vs tors. theta energy: -51.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -587.785638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.785638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.785638 (E_RNA)
where:
Base-Base interactions energy: -379.265
where: short stacking energy: -189.475
Base-Backbone interact. energy: -0.935
local terms energy: -207.585491
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -36.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -457.499320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.499320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.499320 (E_RNA)
where:
Base-Base interactions energy: -272.254
where: short stacking energy: -163.634
Base-Backbone interact. energy: -0.777
local terms energy: -184.469215
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -36.196
flat angles C4'-P-C4' energy: -53.949
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -301.093238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.093238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.093238 (E_RNA)
where:
Base-Base interactions energy: -139.908
where: short stacking energy: -82.510
Base-Backbone interact. energy: -1.025
local terms energy: -160.159684
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: 5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1081.516594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.516594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.516594 (E_RNA)
where:
Base-Base interactions energy: -756.945
where: short stacking energy: -342.459
Base-Backbone interact. energy: -0.098
local terms energy: -324.473085
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -71.938
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -98.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1033.969445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.969445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.969445 (E_RNA)
where:
Base-Base interactions energy: -714.357
where: short stacking energy: -323.450
Base-Backbone interact. energy: 3.005
local terms energy: -322.617553
where:
bonds (distance) C4'-P energy: -56.699
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -94.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -959.937431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.937431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.937431 (E_RNA)
where:
Base-Base interactions energy: -664.280
where: short stacking energy: -287.917
Base-Backbone interact. energy: 1.407
local terms energy: -297.063750
where:
bonds (distance) C4'-P energy: -51.107
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -66.806
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -79.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -956.534570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.534570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.534570 (E_RNA)
where:
Base-Base interactions energy: -648.957
where: short stacking energy: -302.082
Base-Backbone interact. energy: -2.114
local terms energy: -305.463399
where:
bonds (distance) C4'-P energy: -56.973
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -63.077
flat angles P-C4'-P energy: -45.350
tors. eta vs tors. theta energy: -90.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -862.556319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.556319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.556319 (E_RNA)
where:
Base-Base interactions energy: -602.539
where: short stacking energy: -259.732
Base-Backbone interact. energy: -0.639
local terms energy: -259.377995
where:
bonds (distance) C4'-P energy: -57.960
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -54.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -811.340747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.340747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.340747 (E_RNA)
where:
Base-Base interactions energy: -548.464
where: short stacking energy: -241.058
Base-Backbone interact. energy: -0.370
local terms energy: -262.506426
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -61.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -644.781033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.781033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.781033 (E_RNA)
where:
Base-Base interactions energy: -393.656
where: short stacking energy: -205.236
Base-Backbone interact. energy: 0.123
local terms energy: -251.247563
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -58.814
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -57.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -627.318784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.318784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.318784 (E_RNA)
where:
Base-Base interactions energy: -393.599
where: short stacking energy: -202.048
Base-Backbone interact. energy: -1.612
local terms energy: -232.107161
where:
bonds (distance) C4'-P energy: -44.539
bonds (distance) P-C4' energy: -59.973
flat angles C4'-P-C4' energy: -43.613
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -57.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -468.086821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.086821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.086821 (E_RNA)
where:
Base-Base interactions energy: -263.107
where: short stacking energy: -125.195
Base-Backbone interact. energy: 7.242
local terms energy: -212.221558
where:
bonds (distance) C4'-P energy: -53.283
bonds (distance) P-C4' energy: -57.153
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -328.203850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.203850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.203850 (E_RNA)
where:
Base-Base interactions energy: -152.254
where: short stacking energy: -102.651
Base-Backbone interact. energy: -1.193
local terms energy: -174.757091
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1075.440308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.440308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.440308 (E_RNA)
where:
Base-Base interactions energy: -741.859
where: short stacking energy: -309.490
Base-Backbone interact. energy: -4.223
local terms energy: -329.358775
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -66.471
flat angles P-C4'-P energy: -51.338
tors. eta vs tors. theta energy: -92.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1050.896746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.896746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.896746 (E_RNA)
where:
Base-Base interactions energy: -740.162
where: short stacking energy: -324.355
Base-Backbone interact. energy: -2.929
local terms energy: -307.806080
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -70.307
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -83.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -940.898465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.898465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.898465 (E_RNA)
where:
Base-Base interactions energy: -658.124
where: short stacking energy: -297.096
Base-Backbone interact. energy: 0.635
local terms energy: -283.409442
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -78.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -897.045652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.045652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.045652 (E_RNA)
where:
Base-Base interactions energy: -613.276
where: short stacking energy: -292.297
Base-Backbone interact. energy: -1.712
local terms energy: -282.056994
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -67.996
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -73.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -848.174845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.174845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.174845 (E_RNA)
where:
Base-Base interactions energy: -592.412
where: short stacking energy: -252.372
Base-Backbone interact. energy: -1.122
local terms energy: -254.640880
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -50.462
flat angles C4'-P-C4' energy: -61.980
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -60.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -825.601235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.601235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.601235 (E_RNA)
where:
Base-Base interactions energy: -573.201
where: short stacking energy: -235.337
Base-Backbone interact. energy: 7.191
local terms energy: -259.591936
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -64.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -652.481621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.481621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.481621 (E_RNA)
where:
Base-Base interactions energy: -416.853
where: short stacking energy: -202.770
Base-Backbone interact. energy: 1.187
local terms energy: -236.815257
where:
bonds (distance) C4'-P energy: -49.798
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -59.345
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -39.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -593.580069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.580069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.580069 (E_RNA)
where:
Base-Base interactions energy: -366.136
where: short stacking energy: -194.694
Base-Backbone interact. energy: 2.366
local terms energy: -229.810155
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -53.536
flat angles P-C4'-P energy: -33.999
tors. eta vs tors. theta energy: -44.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -495.883117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.883117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.883117 (E_RNA)
where:
Base-Base interactions energy: -280.133
where: short stacking energy: -151.590
Base-Backbone interact. energy: 2.424
local terms energy: -218.173514
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -57.162
flat angles C4'-P-C4' energy: -54.533
flat angles P-C4'-P energy: -36.124
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -269.228174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.228174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.228174 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -94.296
Base-Backbone interact. energy: 3.536
local terms energy: -163.133745
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: 2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1085.464022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.464022 (E_RNA)
where:
Base-Base interactions energy: -750.582
where: short stacking energy: -321.273
Base-Backbone interact. energy: -0.028
local terms energy: -334.854117
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: -91.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1063.542729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.542729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.542729 (E_RNA)
where:
Base-Base interactions energy: -728.795
where: short stacking energy: -308.853
Base-Backbone interact. energy: -1.219
local terms energy: -333.528811
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -67.206
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -88.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -933.256473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.256473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.256473 (E_RNA)
where:
Base-Base interactions energy: -653.647
where: short stacking energy: -266.310
Base-Backbone interact. energy: 0.518
local terms energy: -280.126833
where:
bonds (distance) C4'-P energy: -49.171
bonds (distance) P-C4' energy: -59.321
flat angles C4'-P-C4' energy: -67.012
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -65.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -890.718288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.718288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.718288 (E_RNA)
where:
Base-Base interactions energy: -588.327
where: short stacking energy: -288.060
Base-Backbone interact. energy: 2.085
local terms energy: -304.476262
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -79.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -843.082844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.082844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.082844 (E_RNA)
where:
Base-Base interactions energy: -594.739
where: short stacking energy: -243.346
Base-Backbone interact. energy: -0.982
local terms energy: -247.361099
where:
bonds (distance) C4'-P energy: -51.959
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -65.380
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -60.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -787.437454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.437454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.437454 (E_RNA)
where:
Base-Base interactions energy: -529.729
where: short stacking energy: -215.687
Base-Backbone interact. energy: -1.960
local terms energy: -255.748594
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -64.501
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -50.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -657.859113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.859113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.859113 (E_RNA)
where:
Base-Base interactions energy: -405.258
where: short stacking energy: -210.233
Base-Backbone interact. energy: -0.428
local terms energy: -252.172947
where:
bonds (distance) C4'-P energy: -53.245
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -64.857
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -61.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -572.367917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.367917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.367917 (E_RNA)
where:
Base-Base interactions energy: -356.277
where: short stacking energy: -176.652
Base-Backbone interact. energy: -0.243
local terms energy: -215.848139
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -30.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -484.295094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.295094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.295094 (E_RNA)
where:
Base-Base interactions energy: -281.328
where: short stacking energy: -138.828
Base-Backbone interact. energy: 0.266
local terms energy: -203.232504
where:
bonds (distance) C4'-P energy: -43.156
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -50.625
flat angles P-C4'-P energy: -30.887
tors. eta vs tors. theta energy: -27.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -254.475864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.475864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.475864 (E_RNA)
where:
Base-Base interactions energy: -105.182
where: short stacking energy: -89.508
Base-Backbone interact. energy: -0.736
local terms energy: -148.557090
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -53.894
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1074.057387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.057387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.057387 (E_RNA)
where:
Base-Base interactions energy: -751.970
where: short stacking energy: -314.850
Base-Backbone interact. energy: -1.096
local terms energy: -320.991785
where:
bonds (distance) C4'-P energy: -62.133
bonds (distance) P-C4' energy: -62.631
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -89.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1060.596001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.596001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.596001 (E_RNA)
where:
Base-Base interactions energy: -731.972
where: short stacking energy: -308.393
Base-Backbone interact. energy: -2.467
local terms energy: -326.156948
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -58.722
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -90.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -945.068642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.068642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.068642 (E_RNA)
where:
Base-Base interactions energy: -656.830
where: short stacking energy: -301.545
Base-Backbone interact. energy: -0.302
local terms energy: -287.937133
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -62.677
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -75.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -863.289995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.289995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.289995 (E_RNA)
where:
Base-Base interactions energy: -604.713
where: short stacking energy: -260.243
Base-Backbone interact. energy: -0.252
local terms energy: -258.325300
where:
bonds (distance) C4'-P energy: -58.118
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -61.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -881.458794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.458794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.458794 (E_RNA)
where:
Base-Base interactions energy: -612.146
where: short stacking energy: -276.921
Base-Backbone interact. energy: 3.910
local terms energy: -273.222781
where:
bonds (distance) C4'-P energy: -53.801
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -73.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -725.858943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.858943 (E_RNA)
where:
Base-Base interactions energy: -481.096
where: short stacking energy: -212.137
Base-Backbone interact. energy: -1.505
local terms energy: -243.258779
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -62.036
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -765.658184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.658184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.658184 (E_RNA)
where:
Base-Base interactions energy: -513.386
where: short stacking energy: -224.004
Base-Backbone interact. energy: 3.271
local terms energy: -255.543475
where:
bonds (distance) C4'-P energy: -66.743
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -36.830
tors. eta vs tors. theta energy: -50.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -531.409624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.409624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.409624 (E_RNA)
where:
Base-Base interactions energy: -326.080
where: short stacking energy: -136.740
Base-Backbone interact. energy: -0.237
local terms energy: -205.092283
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -63.015
flat angles C4'-P-C4' energy: -51.650
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -545.049199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.049199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.049199 (E_RNA)
where:
Base-Base interactions energy: -344.632
where: short stacking energy: -163.229
Base-Backbone interact. energy: -1.016
local terms energy: -199.402065
where:
bonds (distance) C4'-P energy: -47.842
bonds (distance) P-C4' energy: -42.390
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -37.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -309.020412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.020412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.020412 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -100.260
Base-Backbone interact. energy: 4.800
local terms energy: -166.867267
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -49.515
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1079.816305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.816305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.816305 (E_RNA)
where:
Base-Base interactions energy: -743.222
where: short stacking energy: -323.944
Base-Backbone interact. energy: -1.557
local terms energy: -335.038048
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -67.598
flat angles C4'-P-C4' energy: -70.323
flat angles P-C4'-P energy: -46.653
tors. eta vs tors. theta energy: -99.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1051.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.148823 (E_RNA)
where:
Base-Base interactions energy: -723.855
where: short stacking energy: -297.341
Base-Backbone interact. energy: -0.274
local terms energy: -327.019832
where:
bonds (distance) C4'-P energy: -64.461
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -42.518
tors. eta vs tors. theta energy: -86.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -953.749082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.749082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.749082 (E_RNA)
where:
Base-Base interactions energy: -646.825
where: short stacking energy: -281.198
Base-Backbone interact. energy: -1.444
local terms energy: -305.479739
where:
bonds (distance) C4'-P energy: -54.886
bonds (distance) P-C4' energy: -64.788
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -73.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -865.231271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.231271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.231271 (E_RNA)
where:
Base-Base interactions energy: -580.079
where: short stacking energy: -261.306
Base-Backbone interact. energy: -2.795
local terms energy: -282.357051
where:
bonds (distance) C4'-P energy: -65.891
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -57.615
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -62.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -885.497662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.497662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.497662 (E_RNA)
where:
Base-Base interactions energy: -625.170
where: short stacking energy: -260.114
Base-Backbone interact. energy: -2.159
local terms energy: -258.168706
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -71.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -795.829260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.829260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.829260 (E_RNA)
where:
Base-Base interactions energy: -507.521
where: short stacking energy: -243.976
Base-Backbone interact. energy: 3.335
local terms energy: -291.642950
where:
bonds (distance) C4'-P energy: -64.490
bonds (distance) P-C4' energy: -59.722
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -73.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -849.022918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.022918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.022918 (E_RNA)
where:
Base-Base interactions energy: -582.641
where: short stacking energy: -247.167
Base-Backbone interact. energy: -2.092
local terms energy: -264.289957
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -58.722
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -55.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -536.846004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.846004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.846004 (E_RNA)
where:
Base-Base interactions energy: -340.871
where: short stacking energy: -166.083
Base-Backbone interact. energy: 2.698
local terms energy: -198.673385
where:
bonds (distance) C4'-P energy: -54.357
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -31.071
tors. eta vs tors. theta energy: -24.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -477.222220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.222220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.222220 (E_RNA)
where:
Base-Base interactions energy: -272.534
where: short stacking energy: -143.770
Base-Backbone interact. energy: -1.390
local terms energy: -203.297804
where:
bonds (distance) C4'-P energy: -47.829
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -37.190
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -24.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -289.564582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.564582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.564582 (E_RNA)
where:
Base-Base interactions energy: -136.377
where: short stacking energy: -78.622
Base-Backbone interact. energy: -1.999
local terms energy: -151.189244
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -39.774
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: 12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1066.607651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.607651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.607651 (E_RNA)
where:
Base-Base interactions energy: -728.829
where: short stacking energy: -320.468
Base-Backbone interact. energy: -2.334
local terms energy: -335.445275
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -72.545
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -98.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1047.853134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.853134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.853134 (E_RNA)
where:
Base-Base interactions energy: -740.600
where: short stacking energy: -315.534
Base-Backbone interact. energy: -2.446
local terms energy: -304.806201
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -88.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -952.667655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.667655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.667655 (E_RNA)
where:
Base-Base interactions energy: -648.843
where: short stacking energy: -289.276
Base-Backbone interact. energy: -2.038
local terms energy: -301.786305
where:
bonds (distance) C4'-P energy: -58.989
bonds (distance) P-C4' energy: -59.685
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -74.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -924.696516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.696516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.696516 (E_RNA)
where:
Base-Base interactions energy: -635.985
where: short stacking energy: -297.131
Base-Backbone interact. energy: -1.267
local terms energy: -287.444406
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -62.132
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -81.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -852.722301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.722301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.722301 (E_RNA)
where:
Base-Base interactions energy: -594.323
where: short stacking energy: -260.949
Base-Backbone interact. energy: -1.210
local terms energy: -257.189077
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -55.958
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -60.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -887.193210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.193210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.193210 (E_RNA)
where:
Base-Base interactions energy: -612.305
where: short stacking energy: -246.561
Base-Backbone interact. energy: -0.919
local terms energy: -273.969364
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -67.973
flat angles C4'-P-C4' energy: -57.645
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -68.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -766.712295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.712295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.712295 (E_RNA)
where:
Base-Base interactions energy: -491.644
where: short stacking energy: -248.240
Base-Backbone interact. energy: -0.724
local terms energy: -274.344337
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -54.026
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -38.949
tors. eta vs tors. theta energy: -66.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -543.023076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.023076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.023076 (E_RNA)
where:
Base-Base interactions energy: -331.293
where: short stacking energy: -153.297
Base-Backbone interact. energy: -0.235
local terms energy: -211.495138
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -60.914
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -460.269803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.269803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.269803 (E_RNA)
where:
Base-Base interactions energy: -249.146
where: short stacking energy: -140.239
Base-Backbone interact. energy: -1.696
local terms energy: -209.427114
where:
bonds (distance) C4'-P energy: -53.114
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -44.876
flat angles P-C4'-P energy: -35.583
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -306.978263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.978263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.978263 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -92.207
Base-Backbone interact. energy: -1.079
local terms energy: -158.468806
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -48.297
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: 2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1073.287271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.287271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.287271 (E_RNA)
where:
Base-Base interactions energy: -745.092
where: short stacking energy: -315.443
Base-Backbone interact. energy: -1.098
local terms energy: -327.096880
where:
bonds (distance) C4'-P energy: -59.751
bonds (distance) P-C4' energy: -65.120
flat angles C4'-P-C4' energy: -69.389
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -86.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1067.317219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.317219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.317219 (E_RNA)
where:
Base-Base interactions energy: -748.847
where: short stacking energy: -311.751
Base-Backbone interact. energy: 1.564
local terms energy: -320.034665
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -65.025
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -82.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -943.694114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.694114 (E_RNA)
where:
Base-Base interactions energy: -645.959
where: short stacking energy: -284.291
Base-Backbone interact. energy: -0.298
local terms energy: -297.437109
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -67.215
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -76.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -909.136386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.136386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.136386 (E_RNA)
where:
Base-Base interactions energy: -608.210
where: short stacking energy: -267.820
Base-Backbone interact. energy: -2.533
local terms energy: -298.393519
where:
bonds (distance) C4'-P energy: -56.363
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -72.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -898.844727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.844727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.844727 (E_RNA)
where:
Base-Base interactions energy: -613.341
where: short stacking energy: -251.895
Base-Backbone interact. energy: -3.224
local terms energy: -282.279654
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -67.198
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -65.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -806.075408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.075408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.075408 (E_RNA)
where:
Base-Base interactions energy: -545.260
where: short stacking energy: -235.675
Base-Backbone interact. energy: -1.166
local terms energy: -259.650228
where:
bonds (distance) C4'-P energy: -52.904
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -56.440
flat angles P-C4'-P energy: -34.943
tors. eta vs tors. theta energy: -59.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -787.973396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.973396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.973396 (E_RNA)
where:
Base-Base interactions energy: -533.786
where: short stacking energy: -237.185
Base-Backbone interact. energy: -0.736
local terms energy: -253.451629
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -51.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -547.983583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.983583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.983583 (E_RNA)
where:
Base-Base interactions energy: -330.811
where: short stacking energy: -152.539
Base-Backbone interact. energy: -0.654
local terms energy: -216.517871
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -68.501
flat angles C4'-P-C4' energy: -40.500
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -454.846420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.846420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.846420 (E_RNA)
where:
Base-Base interactions energy: -251.486
where: short stacking energy: -132.698
Base-Backbone interact. energy: -0.753
local terms energy: -202.608266
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -55.329
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -40.556
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -278.560468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.560468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.560468 (E_RNA)
where:
Base-Base interactions energy: -104.687
where: short stacking energy: -87.807
Base-Backbone interact. energy: 4.251
local terms energy: -178.125115
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1074.690224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.690224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.690224 (E_RNA)
where:
Base-Base interactions energy: -738.791
where: short stacking energy: -323.757
Base-Backbone interact. energy: -0.579
local terms energy: -335.321128
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -68.174
flat angles C4'-P-C4' energy: -69.500
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -82.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1064.747301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.747301 (E_RNA)
where:
Base-Base interactions energy: -743.426
where: short stacking energy: -313.723
Base-Backbone interact. energy: -3.051
local terms energy: -318.269868
where:
bonds (distance) C4'-P energy: -58.345
bonds (distance) P-C4' energy: -63.348
flat angles C4'-P-C4' energy: -74.417
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -85.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -960.733339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.733339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.733339 (E_RNA)
where:
Base-Base interactions energy: -638.287
where: short stacking energy: -285.826
Base-Backbone interact. energy: -1.713
local terms energy: -320.733261
where:
bonds (distance) C4'-P energy: -54.447
bonds (distance) P-C4' energy: -71.276
flat angles C4'-P-C4' energy: -66.940
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -76.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -934.821705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.821705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.821705 (E_RNA)
where:
Base-Base interactions energy: -634.428
where: short stacking energy: -279.950
Base-Backbone interact. energy: -0.469
local terms energy: -299.924959
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -76.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -917.231788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.231788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.231788 (E_RNA)
where:
Base-Base interactions energy: -645.363
where: short stacking energy: -265.467
Base-Backbone interact. energy: -1.516
local terms energy: -270.353320
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -66.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -821.583390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.583390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.583390 (E_RNA)
where:
Base-Base interactions energy: -556.310
where: short stacking energy: -257.517
Base-Backbone interact. energy: -1.421
local terms energy: -263.853271
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -36.491
tors. eta vs tors. theta energy: -63.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -777.493888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.493888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.493888 (E_RNA)
where:
Base-Base interactions energy: -516.831
where: short stacking energy: -239.286
Base-Backbone interact. energy: -0.633
local terms energy: -260.030313
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -47.099
flat angles C4'-P-C4' energy: -59.342
flat angles P-C4'-P energy: -49.646
tors. eta vs tors. theta energy: -50.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -539.911586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.911586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.911586 (E_RNA)
where:
Base-Base interactions energy: -319.540
where: short stacking energy: -176.973
Base-Backbone interact. energy: -0.219
local terms energy: -220.153115
where:
bonds (distance) C4'-P energy: -42.345
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -61.292
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -30.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -464.298204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.298204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.298204 (E_RNA)
where:
Base-Base interactions energy: -278.975
where: short stacking energy: -147.679
Base-Backbone interact. energy: 0.456
local terms energy: -185.778956
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -260.636310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.636310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.636310 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -96.305
Base-Backbone interact. energy: -1.667
local terms energy: -155.834182
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -51.649
flat angles C4'-P-C4' energy: -51.363
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1052.817541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.817541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.817541 (E_RNA)
where:
Base-Base interactions energy: -738.906
where: short stacking energy: -319.845
Base-Backbone interact. energy: -1.482
local terms energy: -312.430258
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -60.858
flat angles C4'-P-C4' energy: -68.007
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: -83.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1050.186817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.186817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.186817 (E_RNA)
where:
Base-Base interactions energy: -708.140
where: short stacking energy: -296.062
Base-Backbone interact. energy: -1.205
local terms energy: -340.842337
where:
bonds (distance) C4'-P energy: -67.172
bonds (distance) P-C4' energy: -61.154
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -53.294
tors. eta vs tors. theta energy: -84.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -921.856660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.856660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.856660 (E_RNA)
where:
Base-Base interactions energy: -627.137
where: short stacking energy: -283.526
Base-Backbone interact. energy: -3.061
local terms energy: -291.658643
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -62.871
flat angles C4'-P-C4' energy: -62.129
flat angles P-C4'-P energy: -41.420
tors. eta vs tors. theta energy: -75.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -920.913037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.913037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.913037 (E_RNA)
where:
Base-Base interactions energy: -631.698
where: short stacking energy: -289.031
Base-Backbone interact. energy: -0.423
local terms energy: -288.792071
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -53.180
flat angles C4'-P-C4' energy: -57.450
flat angles P-C4'-P energy: -45.595
tors. eta vs tors. theta energy: -77.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -925.094489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.094489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.094489 (E_RNA)
where:
Base-Base interactions energy: -640.909
where: short stacking energy: -267.819
Base-Backbone interact. energy: -1.193
local terms energy: -282.993377
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -62.919
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -73.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -844.743215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.743215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.743215 (E_RNA)
where:
Base-Base interactions energy: -582.039
where: short stacking energy: -278.728
Base-Backbone interact. energy: 0.006
local terms energy: -262.709722
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -60.211
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -70.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -790.485890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.485890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.485890 (E_RNA)
where:
Base-Base interactions energy: -544.253
where: short stacking energy: -239.227
Base-Backbone interact. energy: 0.163
local terms energy: -246.395585
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -37.566
tors. eta vs tors. theta energy: -57.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -547.988847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.988847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.988847 (E_RNA)
where:
Base-Base interactions energy: -341.555
where: short stacking energy: -167.179
Base-Backbone interact. energy: -1.402
local terms energy: -205.031411
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -44.910
flat angles C4'-P-C4' energy: -51.838
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -432.941545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.941545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.941545 (E_RNA)
where:
Base-Base interactions energy: -226.169
where: short stacking energy: -115.745
Base-Backbone interact. energy: -1.081
local terms energy: -205.691598
where:
bonds (distance) C4'-P energy: -56.482
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -49.329
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -255.735620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.735620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.735620 (E_RNA)
where:
Base-Base interactions energy: -81.015
where: short stacking energy: -77.557
Base-Backbone interact. energy: -0.288
local terms energy: -174.431992
where:
bonds (distance) C4'-P energy: -54.198
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -43.153
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1075.292409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.292409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.292409 (E_RNA)
where:
Base-Base interactions energy: -748.818
where: short stacking energy: -318.280
Base-Backbone interact. energy: -2.022
local terms energy: -324.452583
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -64.777
flat angles C4'-P-C4' energy: -70.917
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -83.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1030.840346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.840346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.840346 (E_RNA)
where:
Base-Base interactions energy: -707.781
where: short stacking energy: -319.887
Base-Backbone interact. energy: -0.313
local terms energy: -322.746546
where:
bonds (distance) C4'-P energy: -58.621
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -66.734
flat angles P-C4'-P energy: -36.973
tors. eta vs tors. theta energy: -97.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -946.064960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.064960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.064960 (E_RNA)
where:
Base-Base interactions energy: -656.970
where: short stacking energy: -286.350
Base-Backbone interact. energy: -1.593
local terms energy: -287.501595
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -45.968
tors. eta vs tors. theta energy: -72.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -996.725123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.725123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.725123 (E_RNA)
where:
Base-Base interactions energy: -705.086
where: short stacking energy: -300.623
Base-Backbone interact. energy: -1.271
local terms energy: -290.367665
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -84.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -923.920799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.920799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.920799 (E_RNA)
where:
Base-Base interactions energy: -627.715
where: short stacking energy: -279.883
Base-Backbone interact. energy: -0.612
local terms energy: -295.594228
where:
bonds (distance) C4'-P energy: -63.940
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -60.139
flat angles P-C4'-P energy: -44.964
tors. eta vs tors. theta energy: -70.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -830.426097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.426097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.426097 (E_RNA)
where:
Base-Base interactions energy: -553.278
where: short stacking energy: -233.614
Base-Backbone interact. energy: -2.164
local terms energy: -274.984047
where:
bonds (distance) C4'-P energy: -43.085
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -59.189
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -67.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -785.644175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.644175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.644175 (E_RNA)
where:
Base-Base interactions energy: -502.995
where: short stacking energy: -239.475
Base-Backbone interact. energy: 1.740
local terms energy: -284.388753
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -53.612
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -71.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -574.526003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.526003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.526003 (E_RNA)
where:
Base-Base interactions energy: -360.472
where: short stacking energy: -172.050
Base-Backbone interact. energy: 0.354
local terms energy: -214.408501
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -39.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -424.128650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.128650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.128650 (E_RNA)
where:
Base-Base interactions energy: -259.663
where: short stacking energy: -134.255
Base-Backbone interact. energy: -0.664
local terms energy: -163.802363
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -22.200
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -254.743497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.743497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.743497 (E_RNA)
where:
Base-Base interactions energy: -99.516
where: short stacking energy: -84.404
Base-Backbone interact. energy: -0.616
local terms energy: -154.611621
where:
bonds (distance) C4'-P energy: -57.222
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: 20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1067.418028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.418028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.418028 (E_RNA)
where:
Base-Base interactions energy: -749.044
where: short stacking energy: -314.665
Base-Backbone interact. energy: -3.103
local terms energy: -315.270765
where:
bonds (distance) C4'-P energy: -62.470
bonds (distance) P-C4' energy: -59.202
flat angles C4'-P-C4' energy: -64.466
flat angles P-C4'-P energy: -46.482
tors. eta vs tors. theta energy: -82.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1018.382978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.382978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.382978 (E_RNA)
where:
Base-Base interactions energy: -704.125
where: short stacking energy: -302.942
Base-Backbone interact. energy: -1.942
local terms energy: -312.316372
where:
bonds (distance) C4'-P energy: -57.461
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -66.126
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -84.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1033.671349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.671349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.671349 (E_RNA)
where:
Base-Base interactions energy: -730.163
where: short stacking energy: -308.889
Base-Backbone interact. energy: -1.015
local terms energy: -302.493790
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -66.418
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -91.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -897.662871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.662871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.662871 (E_RNA)
where:
Base-Base interactions energy: -622.716
where: short stacking energy: -261.614
Base-Backbone interact. energy: -0.455
local terms energy: -274.492054
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -66.414
flat angles P-C4'-P energy: -36.609
tors. eta vs tors. theta energy: -64.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -892.258845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.258845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.258845 (E_RNA)
where:
Base-Base interactions energy: -602.037
where: short stacking energy: -261.380
Base-Backbone interact. energy: -2.600
local terms energy: -287.622191
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -66.441
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -79.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -849.664642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.664642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.664642 (E_RNA)
where:
Base-Base interactions energy: -574.362
where: short stacking energy: -245.611
Base-Backbone interact. energy: -1.581
local terms energy: -273.721425
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -69.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -793.642422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.642422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.642422 (E_RNA)
where:
Base-Base interactions energy: -547.036
where: short stacking energy: -225.769
Base-Backbone interact. energy: -1.097
local terms energy: -245.509292
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -60.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -601.700384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.700384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.700384 (E_RNA)
where:
Base-Base interactions energy: -375.348
where: short stacking energy: -183.397
Base-Backbone interact. energy: -0.110
local terms energy: -226.242452
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -36.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -441.068065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.068065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.068065 (E_RNA)
where:
Base-Base interactions energy: -260.298
where: short stacking energy: -124.353
Base-Backbone interact. energy: 1.146
local terms energy: -181.916160
where:
bonds (distance) C4'-P energy: -44.106
bonds (distance) P-C4' energy: -59.058
flat angles C4'-P-C4' energy: -43.569
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -272.990637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.990637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.990637 (E_RNA)
where:
Base-Base interactions energy: -121.867
where: short stacking energy: -93.009
Base-Backbone interact. energy: 0.926
local terms energy: -152.048831
where:
bonds (distance) C4'-P energy: -42.388
bonds (distance) P-C4' energy: -55.739
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: 4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1058.390443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.390443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.390443 (E_RNA)
where:
Base-Base interactions energy: -737.049
where: short stacking energy: -308.567
Base-Backbone interact. energy: -1.758
local terms energy: -319.583693
where:
bonds (distance) C4'-P energy: -56.997
bonds (distance) P-C4' energy: -70.828
flat angles C4'-P-C4' energy: -64.128
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -82.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1037.882514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.882514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.882514 (E_RNA)
where:
Base-Base interactions energy: -708.390
where: short stacking energy: -288.793
Base-Backbone interact. energy: -2.996
local terms energy: -326.497245
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -72.089
flat angles P-C4'-P energy: -48.431
tors. eta vs tors. theta energy: -83.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1007.127705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.127705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.127705 (E_RNA)
where:
Base-Base interactions energy: -699.950
where: short stacking energy: -283.337
Base-Backbone interact. energy: -0.089
local terms energy: -307.088317
where:
bonds (distance) C4'-P energy: -52.850
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -65.479
flat angles P-C4'-P energy: -43.240
tors. eta vs tors. theta energy: -78.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -917.533974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.533974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.533974 (E_RNA)
where:
Base-Base interactions energy: -620.471
where: short stacking energy: -267.919
Base-Backbone interact. energy: -1.306
local terms energy: -295.756518
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -58.422
flat angles C4'-P-C4' energy: -70.281
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -76.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -879.911436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.911436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.911436 (E_RNA)
where:
Base-Base interactions energy: -591.339
where: short stacking energy: -269.815
Base-Backbone interact. energy: -1.160
local terms energy: -287.412652
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -70.382
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -73.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -844.577252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.577252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.577252 (E_RNA)
where:
Base-Base interactions energy: -593.500
where: short stacking energy: -246.932
Base-Backbone interact. energy: -0.720
local terms energy: -250.356787
where:
bonds (distance) C4'-P energy: -44.524
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -59.847
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -62.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -814.461899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.461899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.461899 (E_RNA)
where:
Base-Base interactions energy: -549.874
where: short stacking energy: -254.186
Base-Backbone interact. energy: -2.605
local terms energy: -261.983714
where:
bonds (distance) C4'-P energy: -51.984
bonds (distance) P-C4' energy: -53.727
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -60.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -608.389037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.389037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.389037 (E_RNA)
where:
Base-Base interactions energy: -371.183
where: short stacking energy: -177.771
Base-Backbone interact. energy: 1.332
local terms energy: -238.537893
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -55.281
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: -34.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -426.702587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.702587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.702587 (E_RNA)
where:
Base-Base interactions energy: -214.335
where: short stacking energy: -129.797
Base-Backbone interact. energy: -2.039
local terms energy: -210.328999
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -270.368663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.368663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.368663 (E_RNA)
where:
Base-Base interactions energy: -95.328
where: short stacking energy: -59.331
Base-Backbone interact. energy: -1.918
local terms energy: -173.122457
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -58.852
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: 6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1061.739845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.739845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.739845 (E_RNA)
where:
Base-Base interactions energy: -730.088
where: short stacking energy: -308.799
Base-Backbone interact. energy: -1.588
local terms energy: -330.063570
where:
bonds (distance) C4'-P energy: -58.561
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -81.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1058.508222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.508222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.508222 (E_RNA)
where:
Base-Base interactions energy: -739.432
where: short stacking energy: -301.799
Base-Backbone interact. energy: -0.651
local terms energy: -318.425096
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -56.805
flat angles C4'-P-C4' energy: -73.095
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -996.306282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.306282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.306282 (E_RNA)
where:
Base-Base interactions energy: -682.956
where: short stacking energy: -280.541
Base-Backbone interact. energy: -2.090
local terms energy: -311.260453
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -66.451
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -75.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -951.865935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.865935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.865935 (E_RNA)
where:
Base-Base interactions energy: -668.665
where: short stacking energy: -285.764
Base-Backbone interact. energy: -2.664
local terms energy: -280.536813
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -55.487
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: -71.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -891.389976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.389976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.389976 (E_RNA)
where:
Base-Base interactions energy: -601.196
where: short stacking energy: -262.955
Base-Backbone interact. energy: -2.773
local terms energy: -287.420644
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -62.248
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -797.452481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.452481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.452481 (E_RNA)
where:
Base-Base interactions energy: -544.727
where: short stacking energy: -252.839
Base-Backbone interact. energy: -0.719
local terms energy: -252.006731
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -38.855
flat angles C4'-P-C4' energy: -62.597
flat angles P-C4'-P energy: -33.474
tors. eta vs tors. theta energy: -68.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -820.553009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.553009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.553009 (E_RNA)
where:
Base-Base interactions energy: -535.554
where: short stacking energy: -239.750
Base-Backbone interact. energy: -0.189
local terms energy: -284.809565
where:
bonds (distance) C4'-P energy: -60.679
bonds (distance) P-C4' energy: -60.162
flat angles C4'-P-C4' energy: -57.688
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -59.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -626.109577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.109577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.109577 (E_RNA)
where:
Base-Base interactions energy: -397.144
where: short stacking energy: -189.969
Base-Backbone interact. energy: -0.827
local terms energy: -228.138283
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -57.362
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -453.993366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.993366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.993366 (E_RNA)
where:
Base-Base interactions energy: -256.113
where: short stacking energy: -129.579
Base-Backbone interact. energy: -1.422
local terms energy: -196.458500
where:
bonds (distance) C4'-P energy: -46.539
bonds (distance) P-C4' energy: -55.592
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -285.072271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.072271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.072271 (E_RNA)
where:
Base-Base interactions energy: -118.004
where: short stacking energy: -92.707
Base-Backbone interact. energy: -0.749
local terms energy: -166.318893
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1063.853702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.853702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.853702 (E_RNA)
where:
Base-Base interactions energy: -737.237
where: short stacking energy: -302.078
Base-Backbone interact. energy: -0.864
local terms energy: -325.753127
where:
bonds (distance) C4'-P energy: -59.869
bonds (distance) P-C4' energy: -66.309
flat angles C4'-P-C4' energy: -69.928
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -81.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1033.950621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.950621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.950621 (E_RNA)
where:
Base-Base interactions energy: -722.074
where: short stacking energy: -304.390
Base-Backbone interact. energy: -0.481
local terms energy: -311.395556
where:
bonds (distance) C4'-P energy: -54.406
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -84.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -992.448945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.448945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.448945 (E_RNA)
where:
Base-Base interactions energy: -683.806
where: short stacking energy: -298.625
Base-Backbone interact. energy: -2.371
local terms energy: -306.271476
where:
bonds (distance) C4'-P energy: -57.501
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -79.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -975.568723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.568723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.568723 (E_RNA)
where:
Base-Base interactions energy: -683.272
where: short stacking energy: -291.858
Base-Backbone interact. energy: -1.523
local terms energy: -290.774102
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -69.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -833.759521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.759521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.759521 (E_RNA)
where:
Base-Base interactions energy: -577.816
where: short stacking energy: -237.790
Base-Backbone interact. energy: 1.687
local terms energy: -257.630397
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -64.881
flat angles P-C4'-P energy: -34.808
tors. eta vs tors. theta energy: -53.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -830.399246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.399246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.399246 (E_RNA)
where:
Base-Base interactions energy: -566.854
where: short stacking energy: -234.274
Base-Backbone interact. energy: -1.255
local terms energy: -262.289824
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -52.919
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: -63.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -739.312048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.312048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.312048 (E_RNA)
where:
Base-Base interactions energy: -500.579
where: short stacking energy: -227.765
Base-Backbone interact. energy: 1.360
local terms energy: -240.093411
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -45.944
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -53.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -633.593107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.593107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.593107 (E_RNA)
where:
Base-Base interactions energy: -408.098
where: short stacking energy: -192.252
Base-Backbone interact. energy: -0.342
local terms energy: -225.152864
where:
bonds (distance) C4'-P energy: -53.038
bonds (distance) P-C4' energy: -50.615
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -35.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -459.319339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.319339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.319339 (E_RNA)
where:
Base-Base interactions energy: -270.906
where: short stacking energy: -157.615
Base-Backbone interact. energy: 2.569
local terms energy: -190.982703
where:
bonds (distance) C4'-P energy: -37.974
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -294.449120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.449120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.449120 (E_RNA)
where:
Base-Base interactions energy: -115.904
where: short stacking energy: -75.802
Base-Backbone interact. energy: 6.775
local terms energy: -185.319812
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1092.199409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.199409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.199409 (E_RNA)
where:
Base-Base interactions energy: -764.686
where: short stacking energy: -314.446
Base-Backbone interact. energy: -1.101
local terms energy: -326.412456
where:
bonds (distance) C4'-P energy: -53.895
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -90.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1062.627961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.627961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.627961 (E_RNA)
where:
Base-Base interactions energy: -752.561
where: short stacking energy: -310.868
Base-Backbone interact. energy: -1.289
local terms energy: -308.777483
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -88.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1000.421998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.421998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.421998 (E_RNA)
where:
Base-Base interactions energy: -681.059
where: short stacking energy: -306.184
Base-Backbone interact. energy: -3.113
local terms energy: -316.249614
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -66.266
flat angles P-C4'-P energy: -47.878
tors. eta vs tors. theta energy: -91.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -962.378559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.378559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.378559 (E_RNA)
where:
Base-Base interactions energy: -674.317
where: short stacking energy: -303.649
Base-Backbone interact. energy: -2.524
local terms energy: -285.537225
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -55.755
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -82.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -854.212994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.212994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.212994 (E_RNA)
where:
Base-Base interactions energy: -576.800
where: short stacking energy: -237.456
Base-Backbone interact. energy: 0.907
local terms energy: -278.319595
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -66.422
flat angles C4'-P-C4' energy: -52.458
flat angles P-C4'-P energy: -40.852
tors. eta vs tors. theta energy: -63.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -826.741448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.741448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.741448 (E_RNA)
where:
Base-Base interactions energy: -558.847
where: short stacking energy: -226.336
Base-Backbone interact. energy: 1.171
local terms energy: -269.065312
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -70.038
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -744.046990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.046990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.046990 (E_RNA)
where:
Base-Base interactions energy: -513.702
where: short stacking energy: -232.624
Base-Backbone interact. energy: -1.468
local terms energy: -228.877196
where:
bonds (distance) C4'-P energy: -32.487
bonds (distance) P-C4' energy: -43.120
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -59.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -616.956516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.956516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.956516 (E_RNA)
where:
Base-Base interactions energy: -385.346
where: short stacking energy: -167.900
Base-Backbone interact. energy: -1.808
local terms energy: -229.802759
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -37.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -450.251287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.251287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.251287 (E_RNA)
where:
Base-Base interactions energy: -259.924
where: short stacking energy: -125.383
Base-Backbone interact. energy: -0.023
local terms energy: -190.303795
where:
bonds (distance) C4'-P energy: -40.116
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -36.870
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -264.428985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.428985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.428985 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -68.593
Base-Backbone interact. energy: -2.532
local terms energy: -150.745306
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: 7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1096.637338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.637338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.637338 (E_RNA)
where:
Base-Base interactions energy: -770.648
where: short stacking energy: -316.552
Base-Backbone interact. energy: -0.974
local terms energy: -325.015159
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -65.982
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -85.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1077.404364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.404364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.404364 (E_RNA)
where:
Base-Base interactions energy: -786.474
where: short stacking energy: -323.088
Base-Backbone interact. energy: -1.450
local terms energy: -289.480816
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -51.828
flat angles C4'-P-C4' energy: -57.889
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -92.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -997.421431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.421431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.421431 (E_RNA)
where:
Base-Base interactions energy: -695.132
where: short stacking energy: -315.265
Base-Backbone interact. energy: 0.541
local terms energy: -302.830908
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -54.973
flat angles C4'-P-C4' energy: -64.317
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -89.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -959.726484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.726484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.726484 (E_RNA)
where:
Base-Base interactions energy: -660.536
where: short stacking energy: -298.966
Base-Backbone interact. energy: 0.400
local terms energy: -299.590900
where:
bonds (distance) C4'-P energy: -54.880
bonds (distance) P-C4' energy: -63.239
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -83.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -884.940062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.940062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.940062 (E_RNA)
where:
Base-Base interactions energy: -595.227
where: short stacking energy: -273.501
Base-Backbone interact. energy: -1.998
local terms energy: -287.715780
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -75.903
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -76.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -776.308293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.308293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.308293 (E_RNA)
where:
Base-Base interactions energy: -515.178
where: short stacking energy: -219.171
Base-Backbone interact. energy: -4.030
local terms energy: -257.100569
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -58.005
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -694.128805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.128805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.128805 (E_RNA)
where:
Base-Base interactions energy: -452.746
where: short stacking energy: -198.749
Base-Backbone interact. energy: -1.729
local terms energy: -239.654182
where:
bonds (distance) C4'-P energy: -54.552
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -60.852
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -587.992675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.992675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.992675 (E_RNA)
where:
Base-Base interactions energy: -366.819
where: short stacking energy: -154.760
Base-Backbone interact. energy: 1.079
local terms energy: -222.252851
where:
bonds (distance) C4'-P energy: -55.346
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -28.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -426.417959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.417959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.417959 (E_RNA)
where:
Base-Base interactions energy: -238.095
where: short stacking energy: -114.194
Base-Backbone interact. energy: 0.194
local terms energy: -188.517102
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -55.953
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -272.693166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.693166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.693166 (E_RNA)
where:
Base-Base interactions energy: -90.310
where: short stacking energy: -84.782
Base-Backbone interact. energy: -1.149
local terms energy: -181.233466
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -59.007
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1070.428180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.428180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.428180 (E_RNA)
where:
Base-Base interactions energy: -740.988
where: short stacking energy: -314.417
Base-Backbone interact. energy: -0.196
local terms energy: -329.243893
where:
bonds (distance) C4'-P energy: -66.662
bonds (distance) P-C4' energy: -59.233
flat angles C4'-P-C4' energy: -70.075
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -87.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1063.642239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.642239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.642239 (E_RNA)
where:
Base-Base interactions energy: -744.248
where: short stacking energy: -311.277
Base-Backbone interact. energy: -1.554
local terms energy: -317.840030
where:
bonds (distance) C4'-P energy: -55.558
bonds (distance) P-C4' energy: -58.270
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -43.784
tors. eta vs tors. theta energy: -92.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -990.612093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.612093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.612093 (E_RNA)
where:
Base-Base interactions energy: -676.778
where: short stacking energy: -296.636
Base-Backbone interact. energy: -0.265
local terms energy: -313.569009
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -54.215
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -84.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -920.497128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.497128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.497128 (E_RNA)
where:
Base-Base interactions energy: -633.320
where: short stacking energy: -272.381
Base-Backbone interact. energy: -0.322
local terms energy: -286.854806
where:
bonds (distance) C4'-P energy: -46.954
bonds (distance) P-C4' energy: -69.741
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -69.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -863.547914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.547914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.547914 (E_RNA)
where:
Base-Base interactions energy: -577.085
where: short stacking energy: -275.852
Base-Backbone interact. energy: -0.939
local terms energy: -285.524488
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -46.342
tors. eta vs tors. theta energy: -74.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -765.018488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.018488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.018488 (E_RNA)
where:
Base-Base interactions energy: -513.732
where: short stacking energy: -221.203
Base-Backbone interact. energy: -0.574
local terms energy: -250.711869
where:
bonds (distance) C4'-P energy: -58.113
bonds (distance) P-C4' energy: -59.274
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -34.182
tors. eta vs tors. theta energy: -42.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -713.012103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.012103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.012103 (E_RNA)
where:
Base-Base interactions energy: -456.953
where: short stacking energy: -213.748
Base-Backbone interact. energy: 1.343
local terms energy: -257.402024
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -55.934
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -56.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -577.465384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.465384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.465384 (E_RNA)
where:
Base-Base interactions energy: -345.859
where: short stacking energy: -145.269
Base-Backbone interact. energy: -1.675
local terms energy: -229.932235
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -39.534
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -416.913306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.913306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.913306 (E_RNA)
where:
Base-Base interactions energy: -221.903
where: short stacking energy: -126.931
Base-Backbone interact. energy: -0.764
local terms energy: -194.246089
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -44.720
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -254.179251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.179251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.179251 (E_RNA)
where:
Base-Base interactions energy: -116.162
where: short stacking energy: -54.762
Base-Backbone interact. energy: 0.361
local terms energy: -138.378898
where:
bonds (distance) C4'-P energy: -40.686
bonds (distance) P-C4' energy: -53.977
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: 18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1079.379162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.379162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.379162 (E_RNA)
where:
Base-Base interactions energy: -759.202
where: short stacking energy: -321.900
Base-Backbone interact. energy: -0.990
local terms energy: -319.187426
where:
bonds (distance) C4'-P energy: -57.891
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -70.836
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -90.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1054.968491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.968491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.968491 (E_RNA)
where:
Base-Base interactions energy: -732.159
where: short stacking energy: -311.199
Base-Backbone interact. energy: -0.923
local terms energy: -321.887017
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -62.497
flat angles C4'-P-C4' energy: -66.587
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -85.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -981.554598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.554598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.554598 (E_RNA)
where:
Base-Base interactions energy: -684.219
where: short stacking energy: -307.333
Base-Backbone interact. energy: -0.911
local terms energy: -296.424494
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -61.989
flat angles P-C4'-P energy: -48.896
tors. eta vs tors. theta energy: -82.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -938.714596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.714596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.714596 (E_RNA)
where:
Base-Base interactions energy: -626.583
where: short stacking energy: -286.599
Base-Backbone interact. energy: -0.550
local terms energy: -311.581129
where:
bonds (distance) C4'-P energy: -61.443
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -48.127
tors. eta vs tors. theta energy: -79.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -868.284460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.284460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.284460 (E_RNA)
where:
Base-Base interactions energy: -581.014
where: short stacking energy: -272.628
Base-Backbone interact. energy: -0.477
local terms energy: -286.793158
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -46.904
flat angles C4'-P-C4' energy: -60.252
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -75.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -753.909616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.909616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.909616 (E_RNA)
where:
Base-Base interactions energy: -523.165
where: short stacking energy: -232.590
Base-Backbone interact. energy: -0.175
local terms energy: -230.569647
where:
bonds (distance) C4'-P energy: -48.033
bonds (distance) P-C4' energy: -56.627
flat angles C4'-P-C4' energy: -56.295
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -700.145261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.145261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.145261 (E_RNA)
where:
Base-Base interactions energy: -466.691
where: short stacking energy: -216.319
Base-Backbone interact. energy: -0.615
local terms energy: -232.839449
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -568.082767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.082767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.082767 (E_RNA)
where:
Base-Base interactions energy: -348.539
where: short stacking energy: -175.141
Base-Backbone interact. energy: -0.412
local terms energy: -219.131143
where:
bonds (distance) C4'-P energy: -59.906
bonds (distance) P-C4' energy: -44.978
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -447.025463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.025463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.025463 (E_RNA)
where:
Base-Base interactions energy: -261.715
where: short stacking energy: -140.411
Base-Backbone interact. energy: -1.146
local terms energy: -184.164376
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -56.800
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -263.172614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.172614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.172614 (E_RNA)
where:
Base-Base interactions energy: -116.528
where: short stacking energy: -67.815
Base-Backbone interact. energy: 3.135
local terms energy: -149.779173
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: 18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1078.278208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.278208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.278208 (E_RNA)
where:
Base-Base interactions energy: -738.515
where: short stacking energy: -325.101
Base-Backbone interact. energy: -1.758
local terms energy: -338.005133
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -71.286
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -93.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1067.635569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.635569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.635569 (E_RNA)
where:
Base-Base interactions energy: -744.533
where: short stacking energy: -326.573
Base-Backbone interact. energy: -2.647
local terms energy: -320.455415
where:
bonds (distance) C4'-P energy: -66.238
bonds (distance) P-C4' energy: -57.256
flat angles C4'-P-C4' energy: -65.576
flat angles P-C4'-P energy: -45.520
tors. eta vs tors. theta energy: -85.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -992.241735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.241735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.241735 (E_RNA)
where:
Base-Base interactions energy: -681.023
where: short stacking energy: -301.542
Base-Backbone interact. energy: -1.846
local terms energy: -309.372106
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -42.842
tors. eta vs tors. theta energy: -86.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -988.928078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.928078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.928078 (E_RNA)
where:
Base-Base interactions energy: -701.427
where: short stacking energy: -326.019
Base-Backbone interact. energy: -0.741
local terms energy: -286.759734
where:
bonds (distance) C4'-P energy: -57.228
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -81.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -854.979595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.979595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.979595 (E_RNA)
where:
Base-Base interactions energy: -596.974
where: short stacking energy: -253.391
Base-Backbone interact. energy: 3.582
local terms energy: -261.587537
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -53.037
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -66.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -756.489793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.489793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.489793 (E_RNA)
where:
Base-Base interactions energy: -489.460
where: short stacking energy: -226.234
Base-Backbone interact. energy: -1.106
local terms energy: -265.923572
where:
bonds (distance) C4'-P energy: -55.548
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -46.198
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -57.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -719.752904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.752904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.752904 (E_RNA)
where:
Base-Base interactions energy: -475.641
where: short stacking energy: -232.020
Base-Backbone interact. energy: -1.092
local terms energy: -243.020451
where:
bonds (distance) C4'-P energy: -47.346
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -59.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -567.193174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.193174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.193174 (E_RNA)
where:
Base-Base interactions energy: -364.491
where: short stacking energy: -162.700
Base-Backbone interact. energy: -0.626
local terms energy: -202.076971
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -26.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -444.925242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.925242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.925242 (E_RNA)
where:
Base-Base interactions energy: -249.735
where: short stacking energy: -129.510
Base-Backbone interact. energy: -2.058
local terms energy: -193.131571
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -270.240520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.240520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.240520 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -118.565
Base-Backbone interact. energy: 1.325
local terms energy: -139.227203
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1101.265669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.265669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.265669 (E_RNA)
where:
Base-Base interactions energy: -769.502
where: short stacking energy: -340.342
Base-Backbone interact. energy: -0.997
local terms energy: -330.766525
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -91.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1060.722815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.722815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.722815 (E_RNA)
where:
Base-Base interactions energy: -751.794
where: short stacking energy: -308.951
Base-Backbone interact. energy: -0.018
local terms energy: -308.910904
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -83.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1028.734514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.734514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.734514 (E_RNA)
where:
Base-Base interactions energy: -703.117
where: short stacking energy: -326.045
Base-Backbone interact. energy: 0.452
local terms energy: -326.069839
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -65.522
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -92.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -970.664443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.664443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.664443 (E_RNA)
where:
Base-Base interactions energy: -683.682
where: short stacking energy: -293.115
Base-Backbone interact. energy: -1.615
local terms energy: -285.367276
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -64.354
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -71.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -870.998118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.998118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.998118 (E_RNA)
where:
Base-Base interactions energy: -573.886
where: short stacking energy: -252.386
Base-Backbone interact. energy: 0.237
local terms energy: -297.349639
where:
bonds (distance) C4'-P energy: -59.808
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -67.005
flat angles P-C4'-P energy: -45.783
tors. eta vs tors. theta energy: -69.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -765.653975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.653975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.653975 (E_RNA)
where:
Base-Base interactions energy: -509.432
where: short stacking energy: -244.231
Base-Backbone interact. energy: 0.077
local terms energy: -256.299141
where:
bonds (distance) C4'-P energy: -61.378
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -753.648845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.648845 (E_RNA)
where:
Base-Base interactions energy: -512.159
where: short stacking energy: -225.624
Base-Backbone interact. energy: -1.566
local terms energy: -239.924179
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -56.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -613.770576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.770576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.770576 (E_RNA)
where:
Base-Base interactions energy: -410.197
where: short stacking energy: -177.193
Base-Backbone interact. energy: 0.677
local terms energy: -204.250592
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -60.715
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -25.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -431.954803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.954803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.954803 (E_RNA)
where:
Base-Base interactions energy: -217.337
where: short stacking energy: -128.274
Base-Backbone interact. energy: 0.673
local terms energy: -215.291466
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -54.460
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -307.011208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.011208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.011208 (E_RNA)
where:
Base-Base interactions energy: -141.113
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.967
local terms energy: -164.931039
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -49.993
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1112.237650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.237650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.237650 (E_RNA)
where:
Base-Base interactions energy: -796.470
where: short stacking energy: -348.186
Base-Backbone interact. energy: -0.548
local terms energy: -315.219985
where:
bonds (distance) C4'-P energy: -65.349
bonds (distance) P-C4' energy: -52.767
flat angles C4'-P-C4' energy: -63.518
flat angles P-C4'-P energy: -34.988
tors. eta vs tors. theta energy: -98.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1064.445869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.445869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.445869 (E_RNA)
where:
Base-Base interactions energy: -746.636
where: short stacking energy: -322.126
Base-Backbone interact. energy: -2.785
local terms energy: -315.025115
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -64.402
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -87.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -983.117183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.117183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.117183 (E_RNA)
where:
Base-Base interactions energy: -691.093
where: short stacking energy: -292.207
Base-Backbone interact. energy: 4.174
local terms energy: -296.198809
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -985.482212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.482212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.482212 (E_RNA)
where:
Base-Base interactions energy: -688.424
where: short stacking energy: -306.384
Base-Backbone interact. energy: -0.703
local terms energy: -296.354603
where:
bonds (distance) C4'-P energy: -55.707
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -88.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -843.520945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.520945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.520945 (E_RNA)
where:
Base-Base interactions energy: -547.976
where: short stacking energy: -242.810
Base-Backbone interact. energy: -1.074
local terms energy: -294.470490
where:
bonds (distance) C4'-P energy: -57.274
bonds (distance) P-C4' energy: -61.148
flat angles C4'-P-C4' energy: -62.319
flat angles P-C4'-P energy: -45.380
tors. eta vs tors. theta energy: -68.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -762.255114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.255114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.255114 (E_RNA)
where:
Base-Base interactions energy: -506.319
where: short stacking energy: -228.491
Base-Backbone interact. energy: 0.027
local terms energy: -255.963173
where:
bonds (distance) C4'-P energy: -52.403
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -786.318085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.318085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.318085 (E_RNA)
where:
Base-Base interactions energy: -527.881
where: short stacking energy: -237.426
Base-Backbone interact. energy: -0.618
local terms energy: -257.818426
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -62.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -667.525310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.525310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.525310 (E_RNA)
where:
Base-Base interactions energy: -449.612
where: short stacking energy: -179.137
Base-Backbone interact. energy: -2.643
local terms energy: -215.270434
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -47.303
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -33.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -405.858094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.858094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.858094 (E_RNA)
where:
Base-Base interactions energy: -205.823
where: short stacking energy: -136.657
Base-Backbone interact. energy: -0.543
local terms energy: -199.491669
where:
bonds (distance) C4'-P energy: -48.139
bonds (distance) P-C4' energy: -57.415
flat angles C4'-P-C4' energy: -46.939
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -286.211182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.211182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.211182 (E_RNA)
where:
Base-Base interactions energy: -116.434
where: short stacking energy: -65.087
Base-Backbone interact. energy: -1.182
local terms energy: -168.595846
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: 20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1084.589343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.589343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.589343 (E_RNA)
where:
Base-Base interactions energy: -759.212
where: short stacking energy: -326.015
Base-Backbone interact. energy: -0.974
local terms energy: -324.402712
where:
bonds (distance) C4'-P energy: -56.158
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -50.160
tors. eta vs tors. theta energy: -93.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1065.791519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.791519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.791519 (E_RNA)
where:
Base-Base interactions energy: -758.563
where: short stacking energy: -309.665
Base-Backbone interact. energy: -2.351
local terms energy: -304.877754
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -68.662
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: -86.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -983.097896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.097896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.097896 (E_RNA)
where:
Base-Base interactions energy: -676.625
where: short stacking energy: -296.732
Base-Backbone interact. energy: -2.033
local terms energy: -304.440282
where:
bonds (distance) C4'-P energy: -60.722
bonds (distance) P-C4' energy: -62.459
flat angles C4'-P-C4' energy: -68.105
flat angles P-C4'-P energy: -37.325
tors. eta vs tors. theta energy: -75.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -969.131612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.131612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.131612 (E_RNA)
where:
Base-Base interactions energy: -654.079
where: short stacking energy: -281.888
Base-Backbone interact. energy: -2.717
local terms energy: -312.335450
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -58.545
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -82.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -843.240572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.240572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.240572 (E_RNA)
where:
Base-Base interactions energy: -565.848
where: short stacking energy: -265.709
Base-Backbone interact. energy: -1.418
local terms energy: -275.974987
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -69.024
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -64.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -826.613654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.613654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.613654 (E_RNA)
where:
Base-Base interactions energy: -556.788
where: short stacking energy: -260.865
Base-Backbone interact. energy: 0.994
local terms energy: -270.820061
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -69.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -797.611808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.611808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.611808 (E_RNA)
where:
Base-Base interactions energy: -525.148
where: short stacking energy: -240.565
Base-Backbone interact. energy: -1.487
local terms energy: -270.976736
where:
bonds (distance) C4'-P energy: -56.340
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -69.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -632.266072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.266072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.266072 (E_RNA)
where:
Base-Base interactions energy: -427.996
where: short stacking energy: -175.345
Base-Backbone interact. energy: 0.840
local terms energy: -205.110051
where:
bonds (distance) C4'-P energy: -46.458
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -36.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -438.001934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.001934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.001934 (E_RNA)
where:
Base-Base interactions energy: -256.115
where: short stacking energy: -142.913
Base-Backbone interact. energy: -2.283
local terms energy: -179.604406
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -59.548
flat angles C4'-P-C4' energy: -39.284
flat angles P-C4'-P energy: -17.497
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -273.027672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.027672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.027672 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -79.755
Base-Backbone interact. energy: -1.932
local terms energy: -144.846344
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -46.103
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: 5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1101.786197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.786197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.786197 (E_RNA)
where:
Base-Base interactions energy: -765.017
where: short stacking energy: -322.391
Base-Backbone interact. energy: 0.312
local terms energy: -337.081244
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -70.391
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -92.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1066.187005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.187005 (E_RNA)
where:
Base-Base interactions energy: -742.866
where: short stacking energy: -327.725
Base-Backbone interact. energy: -1.178
local terms energy: -322.142639
where:
bonds (distance) C4'-P energy: -58.508
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -67.540
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -99.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1010.533231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.533231 (E_RNA)
where:
Base-Base interactions energy: -691.092
where: short stacking energy: -308.878
Base-Backbone interact. energy: -1.962
local terms energy: -317.479257
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -65.909
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -44.774
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -960.814119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.814119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.814119 (E_RNA)
where:
Base-Base interactions energy: -660.913
where: short stacking energy: -286.551
Base-Backbone interact. energy: 0.771
local terms energy: -300.672230
where:
bonds (distance) C4'-P energy: -53.580
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -77.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -847.235348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.235348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.235348 (E_RNA)
where:
Base-Base interactions energy: -581.482
where: short stacking energy: -269.355
Base-Backbone interact. energy: -1.968
local terms energy: -263.785374
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -48.995
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -67.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -827.245842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.245842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.245842 (E_RNA)
where:
Base-Base interactions energy: -551.509
where: short stacking energy: -214.334
Base-Backbone interact. energy: -0.895
local terms energy: -274.841976
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -59.909
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -57.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -760.124507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.124507 (E_RNA)
where:
Base-Base interactions energy: -475.587
where: short stacking energy: -210.928
Base-Backbone interact. energy: -0.253
local terms energy: -284.284664
where:
bonds (distance) C4'-P energy: -64.037
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -64.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -654.192501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.192501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.192501 (E_RNA)
where:
Base-Base interactions energy: -433.650
where: short stacking energy: -182.990
Base-Backbone interact. energy: 0.017
local terms energy: -220.559287
where:
bonds (distance) C4'-P energy: -44.902
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: -32.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -464.439797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.439797 (E_RNA)
where:
Base-Base interactions energy: -259.040
where: short stacking energy: -126.614
Base-Backbone interact. energy: -2.163
local terms energy: -203.236548
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -42.489
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -264.531811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.531811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531811 (E_RNA)
where:
Base-Base interactions energy: -91.987
where: short stacking energy: -79.515
Base-Backbone interact. energy: 3.284
local terms energy: -175.829550
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -54.818
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: 7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1091.383509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.383509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.383509 (E_RNA)
where:
Base-Base interactions energy: -774.175
where: short stacking energy: -315.768
Base-Backbone interact. energy: -0.950
local terms energy: -316.258910
where:
bonds (distance) C4'-P energy: -63.277
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -66.827
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -88.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1017.789026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.789026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.789026 (E_RNA)
where:
Base-Base interactions energy: -699.106
where: short stacking energy: -320.317
Base-Backbone interact. energy: -1.365
local terms energy: -317.318051
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -45.630
tors. eta vs tors. theta energy: -94.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1042.004872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.004872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.004872 (E_RNA)
where:
Base-Base interactions energy: -738.843
where: short stacking energy: -309.193
Base-Backbone interact. energy: -1.400
local terms energy: -301.762377
where:
bonds (distance) C4'-P energy: -57.845
bonds (distance) P-C4' energy: -59.518
flat angles C4'-P-C4' energy: -63.036
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -83.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -953.133918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.133918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.133918 (E_RNA)
where:
Base-Base interactions energy: -653.562
where: short stacking energy: -289.710
Base-Backbone interact. energy: -1.029
local terms energy: -298.542732
where:
bonds (distance) C4'-P energy: -56.142
bonds (distance) P-C4' energy: -54.740
flat angles C4'-P-C4' energy: -67.778
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -83.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -845.190979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.190979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.190979 (E_RNA)
where:
Base-Base interactions energy: -564.339
where: short stacking energy: -249.661
Base-Backbone interact. energy: 1.947
local terms energy: -282.798021
where:
bonds (distance) C4'-P energy: -62.956
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -64.407
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -64.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -835.845599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.845599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.845599 (E_RNA)
where:
Base-Base interactions energy: -578.295
where: short stacking energy: -259.564
Base-Backbone interact. energy: 3.340
local terms energy: -260.890572
where:
bonds (distance) C4'-P energy: -42.165
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -63.594
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -65.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -740.497305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.497305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.497305 (E_RNA)
where:
Base-Base interactions energy: -483.551
where: short stacking energy: -220.377
Base-Backbone interact. energy: -0.179
local terms energy: -256.766581
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -51.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -651.947541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.947541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.947541 (E_RNA)
where:
Base-Base interactions energy: -411.324
where: short stacking energy: -186.926
Base-Backbone interact. energy: -1.601
local terms energy: -239.022611
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -37.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -454.819422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.819422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.819422 (E_RNA)
where:
Base-Base interactions energy: -253.765
where: short stacking energy: -131.001
Base-Backbone interact. energy: 2.240
local terms energy: -203.294563
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -46.894
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -303.048351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.048351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.048351 (E_RNA)
where:
Base-Base interactions energy: -120.146
where: short stacking energy: -101.141
Base-Backbone interact. energy: 0.988
local terms energy: -183.890416
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -47.262
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1111.029293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.029293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.029293 (E_RNA)
where:
Base-Base interactions energy: -781.195
where: short stacking energy: -325.441
Base-Backbone interact. energy: -0.652
local terms energy: -329.182611
where:
bonds (distance) C4'-P energy: -56.485
bonds (distance) P-C4' energy: -62.765
flat angles C4'-P-C4' energy: -69.153
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -96.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1066.583646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.583646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.583646 (E_RNA)
where:
Base-Base interactions energy: -737.447
where: short stacking energy: -320.728
Base-Backbone interact. energy: -1.286
local terms energy: -327.849940
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -93.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1054.690241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.690241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.690241 (E_RNA)
where:
Base-Base interactions energy: -742.035
where: short stacking energy: -319.686
Base-Backbone interact. energy: -1.289
local terms energy: -311.365665
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -69.676
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: -89.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -977.606874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.606874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.606874 (E_RNA)
where:
Base-Base interactions energy: -662.460
where: short stacking energy: -289.678
Base-Backbone interact. energy: -2.189
local terms energy: -312.957836
where:
bonds (distance) C4'-P energy: -58.649
bonds (distance) P-C4' energy: -66.236
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -80.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -876.425474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.425474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.425474 (E_RNA)
where:
Base-Base interactions energy: -583.631
where: short stacking energy: -253.167
Base-Backbone interact. energy: -0.589
local terms energy: -292.206061
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: -67.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -829.419213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.419213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.419213 (E_RNA)
where:
Base-Base interactions energy: -568.131
where: short stacking energy: -242.043
Base-Backbone interact. energy: 1.128
local terms energy: -262.416118
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -52.430
flat angles C4'-P-C4' energy: -61.921
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -58.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -732.118336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.118336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.118336 (E_RNA)
where:
Base-Base interactions energy: -481.016
where: short stacking energy: -220.542
Base-Backbone interact. energy: -2.912
local terms energy: -248.190294
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -53.934
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -49.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -613.496421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.496421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.496421 (E_RNA)
where:
Base-Base interactions energy: -385.745
where: short stacking energy: -188.775
Base-Backbone interact. energy: 0.943
local terms energy: -228.694093
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -418.587156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.587156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.587156 (E_RNA)
where:
Base-Base interactions energy: -226.064
where: short stacking energy: -123.675
Base-Backbone interact. energy: -2.105
local terms energy: -190.418186
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -303.771827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.771827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.771827 (E_RNA)
where:
Base-Base interactions energy: -137.340
where: short stacking energy: -95.041
Base-Backbone interact. energy: -2.258
local terms energy: -164.173647
where:
bonds (distance) C4'-P energy: -51.703
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: 4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1090.511210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.511210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.511210 (E_RNA)
where:
Base-Base interactions energy: -761.097
where: short stacking energy: -330.392
Base-Backbone interact. energy: -2.941
local terms energy: -326.473383
where:
bonds (distance) C4'-P energy: -63.190
bonds (distance) P-C4' energy: -60.789
flat angles C4'-P-C4' energy: -64.440
flat angles P-C4'-P energy: -41.421
tors. eta vs tors. theta energy: -96.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1075.917299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.917299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.917299 (E_RNA)
where:
Base-Base interactions energy: -749.312
where: short stacking energy: -322.969
Base-Backbone interact. energy: -0.961
local terms energy: -325.644596
where:
bonds (distance) C4'-P energy: -52.774
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -66.993
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -95.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1036.933608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.933608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.933608 (E_RNA)
where:
Base-Base interactions energy: -717.960
where: short stacking energy: -324.506
Base-Backbone interact. energy: -0.997
local terms energy: -317.976931
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -68.872
flat angles P-C4'-P energy: -46.226
tors. eta vs tors. theta energy: -100.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -956.868720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.868720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.868720 (E_RNA)
where:
Base-Base interactions energy: -670.863
where: short stacking energy: -296.778
Base-Backbone interact. energy: 2.167
local terms energy: -288.172600
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -72.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -869.006343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.006343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.006343 (E_RNA)
where:
Base-Base interactions energy: -582.416
where: short stacking energy: -255.677
Base-Backbone interact. energy: -0.753
local terms energy: -285.836591
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -65.402
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -66.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -789.662309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.662309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.662309 (E_RNA)
where:
Base-Base interactions energy: -544.791
where: short stacking energy: -245.388
Base-Backbone interact. energy: -0.416
local terms energy: -244.455290
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -42.930
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -62.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -806.974556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.974556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.974556 (E_RNA)
where:
Base-Base interactions energy: -541.834
where: short stacking energy: -244.977
Base-Backbone interact. energy: 2.068
local terms energy: -267.208139
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: -68.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -641.813641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.813641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.813641 (E_RNA)
where:
Base-Base interactions energy: -396.136
where: short stacking energy: -176.246
Base-Backbone interact. energy: 1.600
local terms energy: -247.276893
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -64.334
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: -41.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -423.872003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.872003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.872003 (E_RNA)
where:
Base-Base interactions energy: -214.725
where: short stacking energy: -130.326
Base-Backbone interact. energy: -0.879
local terms energy: -208.267823
where:
bonds (distance) C4'-P energy: -54.522
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -269.348978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.348978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.348978 (E_RNA)
where:
Base-Base interactions energy: -91.895
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.946
local terms energy: -176.507889
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: 4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1088.929913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.929913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.929913 (E_RNA)
where:
Base-Base interactions energy: -752.077
where: short stacking energy: -321.163
Base-Backbone interact. energy: -1.710
local terms energy: -335.142923
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -59.336
flat angles C4'-P-C4' energy: -69.095
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -95.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1085.398762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.398762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.398762 (E_RNA)
where:
Base-Base interactions energy: -763.892
where: short stacking energy: -334.074
Base-Backbone interact. energy: -0.314
local terms energy: -321.192768
where:
bonds (distance) C4'-P energy: -54.343
bonds (distance) P-C4' energy: -56.097
flat angles C4'-P-C4' energy: -71.823
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -94.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1043.444140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.444140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.444140 (E_RNA)
where:
Base-Base interactions energy: -729.018
where: short stacking energy: -310.160
Base-Backbone interact. energy: -1.697
local terms energy: -312.729513
where:
bonds (distance) C4'-P energy: -53.751
bonds (distance) P-C4' energy: -62.002
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -91.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -971.662923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.662923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.662923 (E_RNA)
where:
Base-Base interactions energy: -666.399
where: short stacking energy: -286.759
Base-Backbone interact. energy: -1.383
local terms energy: -303.880818
where:
bonds (distance) C4'-P energy: -48.765
bonds (distance) P-C4' energy: -62.159
flat angles C4'-P-C4' energy: -64.713
flat angles P-C4'-P energy: -46.706
tors. eta vs tors. theta energy: -81.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -880.759483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.759483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.759483 (E_RNA)
where:
Base-Base interactions energy: -594.184
where: short stacking energy: -267.248
Base-Backbone interact. energy: -1.036
local terms energy: -285.539801
where:
bonds (distance) C4'-P energy: -55.409
bonds (distance) P-C4' energy: -51.519
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -72.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -791.501914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.501914 (E_RNA)
where:
Base-Base interactions energy: -518.169
where: short stacking energy: -248.364
Base-Backbone interact. energy: -0.321
local terms energy: -273.011336
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -70.531
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -62.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -770.525728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.525728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.525728 (E_RNA)
where:
Base-Base interactions energy: -492.608
where: short stacking energy: -223.422
Base-Backbone interact. energy: 0.075
local terms energy: -277.992753
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -62.977
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -57.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -661.296153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.296153 (E_RNA)
where:
Base-Base interactions energy: -434.973
where: short stacking energy: -186.833
Base-Backbone interact. energy: -2.711
local terms energy: -223.611405
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -32.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -423.088827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.088827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.088827 (E_RNA)
where:
Base-Base interactions energy: -233.087
where: short stacking energy: -129.333
Base-Backbone interact. energy: 0.287
local terms energy: -190.288828
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -287.825968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.825968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.825968 (E_RNA)
where:
Base-Base interactions energy: -116.383
where: short stacking energy: -96.206
Base-Backbone interact. energy: -0.707
local terms energy: -170.735916
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1095.117091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.117091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.117091 (E_RNA)
where:
Base-Base interactions energy: -761.248
where: short stacking energy: -328.171
Base-Backbone interact. energy: -3.645
local terms energy: -330.223843
where:
bonds (distance) C4'-P energy: -57.663
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -72.987
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -94.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1108.255226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.255226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.255226 (E_RNA)
where:
Base-Base interactions energy: -785.085
where: short stacking energy: -350.871
Base-Backbone interact. energy: -0.988
local terms energy: -322.182773
where:
bonds (distance) C4'-P energy: -51.423
bonds (distance) P-C4' energy: -67.484
flat angles C4'-P-C4' energy: -71.893
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -89.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1045.892316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.892316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.892316 (E_RNA)
where:
Base-Base interactions energy: -735.171
where: short stacking energy: -313.574
Base-Backbone interact. energy: 0.026
local terms energy: -310.747698
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -59.768
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: -83.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -987.934900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.934900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.934900 (E_RNA)
where:
Base-Base interactions energy: -686.619
where: short stacking energy: -299.462
Base-Backbone interact. energy: 2.399
local terms energy: -303.714772
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -85.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -904.572615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.572615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.572615 (E_RNA)
where:
Base-Base interactions energy: -626.394
where: short stacking energy: -282.511
Base-Backbone interact. energy: -1.062
local terms energy: -277.116758
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -60.328
flat angles C4'-P-C4' energy: -63.536
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -74.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -830.623876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.623876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.623876 (E_RNA)
where:
Base-Base interactions energy: -566.902
where: short stacking energy: -263.268
Base-Backbone interact. energy: -0.844
local terms energy: -262.877126
where:
bonds (distance) C4'-P energy: -40.987
bonds (distance) P-C4' energy: -67.966
flat angles C4'-P-C4' energy: -58.165
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: -63.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -766.742369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.742369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.742369 (E_RNA)
where:
Base-Base interactions energy: -499.686
where: short stacking energy: -227.900
Base-Backbone interact. energy: 2.079
local terms energy: -269.134942
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -60.797
flat angles C4'-P-C4' energy: -51.995
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -64.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -692.398255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.398255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.398255 (E_RNA)
where:
Base-Base interactions energy: -468.727
where: short stacking energy: -222.030
Base-Backbone interact. energy: -1.459
local terms energy: -222.212231
where:
bonds (distance) C4'-P energy: -35.388
bonds (distance) P-C4' energy: -43.870
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -36.311
tors. eta vs tors. theta energy: -48.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -414.905094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.905094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.905094 (E_RNA)
where:
Base-Base interactions energy: -231.735
where: short stacking energy: -144.951
Base-Backbone interact. energy: -2.517
local terms energy: -180.652678
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -47.403
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -26.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -302.055643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.055643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.055643 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.552
local terms energy: -174.011887
where:
bonds (distance) C4'-P energy: -43.319
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1116.119039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.119039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.119039 (E_RNA)
where:
Base-Base interactions energy: -789.863
where: short stacking energy: -341.282
Base-Backbone interact. energy: -0.775
local terms energy: -325.481272
where:
bonds (distance) C4'-P energy: -63.523
bonds (distance) P-C4' energy: -56.537
flat angles C4'-P-C4' energy: -72.373
flat angles P-C4'-P energy: -37.321
tors. eta vs tors. theta energy: -95.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1081.888488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.888488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.888488 (E_RNA)
where:
Base-Base interactions energy: -763.854
where: short stacking energy: -318.620
Base-Backbone interact. energy: -1.973
local terms energy: -316.062324
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -67.323
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -85.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1024.366929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.366929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.366929 (E_RNA)
where:
Base-Base interactions energy: -705.254
where: short stacking energy: -298.444
Base-Backbone interact. energy: -0.991
local terms energy: -318.122574
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -47.267
tors. eta vs tors. theta energy: -85.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -971.873355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.873355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.873355 (E_RNA)
where:
Base-Base interactions energy: -700.441
where: short stacking energy: -314.513
Base-Backbone interact. energy: 1.613
local terms energy: -273.045803
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -67.887
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -70.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -894.495634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.495634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.495634 (E_RNA)
where:
Base-Base interactions energy: -618.799
where: short stacking energy: -271.635
Base-Backbone interact. energy: -2.069
local terms energy: -273.628421
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -60.849
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -73.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -874.778503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.778503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.778503 (E_RNA)
where:
Base-Base interactions energy: -602.541
where: short stacking energy: -258.616
Base-Backbone interact. energy: -1.148
local terms energy: -271.089896
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -57.200
flat angles C4'-P-C4' energy: -56.943
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -69.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -748.217841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.217841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.217841 (E_RNA)
where:
Base-Base interactions energy: -487.056
where: short stacking energy: -214.571
Base-Backbone interact. energy: -0.881
local terms energy: -260.280593
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -57.718
flat angles C4'-P-C4' energy: -61.147
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -54.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -644.485630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.485630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.485630 (E_RNA)
where:
Base-Base interactions energy: -421.993
where: short stacking energy: -173.398
Base-Backbone interact. energy: -0.992
local terms energy: -221.500648
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -405.432197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.432197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.432197 (E_RNA)
where:
Base-Base interactions energy: -211.315
where: short stacking energy: -131.820
Base-Backbone interact. energy: 0.432
local terms energy: -194.548920
where:
bonds (distance) C4'-P energy: -44.768
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -276.260573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.260573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.260573 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -89.108
Base-Backbone interact. energy: -2.036
local terms energy: -154.307157
where:
bonds (distance) C4'-P energy: -53.011
bonds (distance) P-C4' energy: -51.353
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: 5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1117.617330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.617330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.617330 (E_RNA)
where:
Base-Base interactions energy: -799.043
where: short stacking energy: -341.284
Base-Backbone interact. energy: -0.686
local terms energy: -317.888020
where:
bonds (distance) C4'-P energy: -55.940
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -71.713
flat angles P-C4'-P energy: -36.174
tors. eta vs tors. theta energy: -90.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1047.729021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.729021 (E_RNA)
where:
Base-Base interactions energy: -721.615
where: short stacking energy: -301.492
Base-Backbone interact. energy: -1.299
local terms energy: -324.815016
where:
bonds (distance) C4'-P energy: -59.169
bonds (distance) P-C4' energy: -70.519
flat angles C4'-P-C4' energy: -66.027
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -85.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1051.083760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.083760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.083760 (E_RNA)
where:
Base-Base interactions energy: -720.233
where: short stacking energy: -308.629
Base-Backbone interact. energy: -3.347
local terms energy: -327.503607
where:
bonds (distance) C4'-P energy: -59.914
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -72.314
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -82.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -957.408252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.408252 (E_RNA)
where:
Base-Base interactions energy: -654.550
where: short stacking energy: -279.808
Base-Backbone interact. energy: 1.595
local terms energy: -304.453694
where:
bonds (distance) C4'-P energy: -54.616
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -72.637
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -70.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -909.118827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.118827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.118827 (E_RNA)
where:
Base-Base interactions energy: -633.283
where: short stacking energy: -273.127
Base-Backbone interact. energy: -1.858
local terms energy: -273.977787
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -68.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -870.470946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.470946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.470946 (E_RNA)
where:
Base-Base interactions energy: -588.025
where: short stacking energy: -251.286
Base-Backbone interact. energy: -0.567
local terms energy: -281.879270
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -64.068
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -68.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -793.210937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.210937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.210937 (E_RNA)
where:
Base-Base interactions energy: -519.791
where: short stacking energy: -222.437
Base-Backbone interact. energy: -2.008
local terms energy: -271.412592
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -53.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -621.389314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.389314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.389314 (E_RNA)
where:
Base-Base interactions energy: -397.774
where: short stacking energy: -187.112
Base-Backbone interact. energy: 0.555
local terms energy: -224.169566
where:
bonds (distance) C4'-P energy: -54.406
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -31.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -418.783060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.783060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.783060 (E_RNA)
where:
Base-Base interactions energy: -242.491
where: short stacking energy: -146.418
Base-Backbone interact. energy: 0.830
local terms energy: -177.121884
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -311.332442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.332442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.332442 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -92.120
Base-Backbone interact. energy: 0.476
local terms energy: -176.682974
where:
bonds (distance) C4'-P energy: -58.788
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -50.011
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: 4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1116.251336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.251336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.251336 (E_RNA)
where:
Base-Base interactions energy: -793.270
where: short stacking energy: -343.421
Base-Backbone interact. energy: -0.856
local terms energy: -322.125097
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -69.319
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -92.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1067.745048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.745048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.745048 (E_RNA)
where:
Base-Base interactions energy: -741.146
where: short stacking energy: -316.348
Base-Backbone interact. energy: -1.289
local terms energy: -325.309712
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -62.235
flat angles C4'-P-C4' energy: -70.525
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -85.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1055.832780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.832780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.832780 (E_RNA)
where:
Base-Base interactions energy: -738.275
where: short stacking energy: -304.958
Base-Backbone interact. energy: -1.603
local terms energy: -315.954622
where:
bonds (distance) C4'-P energy: -55.887
bonds (distance) P-C4' energy: -63.825
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -88.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -977.338395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.338395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.338395 (E_RNA)
where:
Base-Base interactions energy: -684.535
where: short stacking energy: -286.499
Base-Backbone interact. energy: -1.820
local terms energy: -290.982969
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -62.801
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -71.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -926.308103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.308103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.308103 (E_RNA)
where:
Base-Base interactions energy: -656.732
where: short stacking energy: -274.063
Base-Backbone interact. energy: 0.308
local terms energy: -269.884133
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -45.504
flat angles C4'-P-C4' energy: -53.233
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: -77.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -883.533433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.533433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.533433 (E_RNA)
where:
Base-Base interactions energy: -606.718
where: short stacking energy: -267.682
Base-Backbone interact. energy: 3.686
local terms energy: -280.500909
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -63.569
flat angles C4'-P-C4' energy: -61.573
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -71.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -770.261112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.261112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.261112 (E_RNA)
where:
Base-Base interactions energy: -528.906
where: short stacking energy: -220.259
Base-Backbone interact. energy: -0.486
local terms energy: -240.869778
where:
bonds (distance) C4'-P energy: -50.863
bonds (distance) P-C4' energy: -48.640
flat angles C4'-P-C4' energy: -50.587
flat angles P-C4'-P energy: -43.198
tors. eta vs tors. theta energy: -47.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -652.048594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.048594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.048594 (E_RNA)
where:
Base-Base interactions energy: -430.835
where: short stacking energy: -199.303
Base-Backbone interact. energy: -1.044
local terms energy: -220.169778
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -41.094
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -45.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -459.494622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.494622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.494622 (E_RNA)
where:
Base-Base interactions energy: -256.789
where: short stacking energy: -128.361
Base-Backbone interact. energy: -0.143
local terms energy: -202.562200
where:
bonds (distance) C4'-P energy: -44.502
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -282.032644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.032644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.032644 (E_RNA)
where:
Base-Base interactions energy: -123.676
where: short stacking energy: -72.393
Base-Backbone interact. energy: 1.778
local terms energy: -160.134698
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1109.085278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.085278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.085278 (E_RNA)
where:
Base-Base interactions energy: -782.439
where: short stacking energy: -339.972
Base-Backbone interact. energy: -0.768
local terms energy: -325.878473
where:
bonds (distance) C4'-P energy: -65.342
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -70.906
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -93.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1074.404775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.404775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.404775 (E_RNA)
where:
Base-Base interactions energy: -751.899
where: short stacking energy: -332.488
Base-Backbone interact. energy: 1.878
local terms energy: -324.383590
where:
bonds (distance) C4'-P energy: -65.868
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -65.257
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -94.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1037.893973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.893973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.893973 (E_RNA)
where:
Base-Base interactions energy: -720.964
where: short stacking energy: -307.102
Base-Backbone interact. energy: -0.105
local terms energy: -316.825145
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -46.504
tors. eta vs tors. theta energy: -90.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -968.117124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.117124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.117124 (E_RNA)
where:
Base-Base interactions energy: -685.454
where: short stacking energy: -290.942
Base-Backbone interact. energy: -0.868
local terms energy: -281.794820
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -78.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -906.141350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.141350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.141350 (E_RNA)
where:
Base-Base interactions energy: -628.090
where: short stacking energy: -263.042
Base-Backbone interact. energy: -3.085
local terms energy: -274.965805
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -57.936
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -73.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -866.798547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.798547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.798547 (E_RNA)
where:
Base-Base interactions energy: -609.271
where: short stacking energy: -261.563
Base-Backbone interact. energy: 1.162
local terms energy: -258.689643
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -43.920
flat angles C4'-P-C4' energy: -53.835
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -72.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -749.991557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.991557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.991557 (E_RNA)
where:
Base-Base interactions energy: -515.177
where: short stacking energy: -234.629
Base-Backbone interact. energy: -2.465
local terms energy: -232.349063
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -65.771
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: -51.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -630.971818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.971818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.971818 (E_RNA)
where:
Base-Base interactions energy: -423.370
where: short stacking energy: -179.376
Base-Backbone interact. energy: -1.018
local terms energy: -206.584398
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -53.068
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -434.081816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.081816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.081816 (E_RNA)
where:
Base-Base interactions energy: -226.365
where: short stacking energy: -124.989
Base-Backbone interact. energy: 0.693
local terms energy: -208.409742
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -46.944
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -290.238805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.238805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.238805 (E_RNA)
where:
Base-Base interactions energy: -132.520
where: short stacking energy: -83.481
Base-Backbone interact. energy: -0.880
local terms energy: -156.839624
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -57.964
flat angles C4'-P-C4' energy: -42.283
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: 4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1115.890731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.890731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.890731 (E_RNA)
where:
Base-Base interactions energy: -797.052
where: short stacking energy: -339.502
Base-Backbone interact. energy: -1.400
local terms energy: -317.438826
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -97.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1091.844651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.844651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.844651 (E_RNA)
where:
Base-Base interactions energy: -762.150
where: short stacking energy: -341.294
Base-Backbone interact. energy: -2.018
local terms energy: -327.676404
where:
bonds (distance) C4'-P energy: -58.343
bonds (distance) P-C4' energy: -58.478
flat angles C4'-P-C4' energy: -67.158
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -96.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1032.513780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.513780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.513780 (E_RNA)
where:
Base-Base interactions energy: -711.537
where: short stacking energy: -294.578
Base-Backbone interact. energy: -1.223
local terms energy: -319.754291
where:
bonds (distance) C4'-P energy: -54.792
bonds (distance) P-C4' energy: -62.808
flat angles C4'-P-C4' energy: -63.366
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -91.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -973.026732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.026732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.026732 (E_RNA)
where:
Base-Base interactions energy: -673.432
where: short stacking energy: -285.928
Base-Backbone interact. energy: -0.929
local terms energy: -298.666219
where:
bonds (distance) C4'-P energy: -56.713
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -59.344
flat angles P-C4'-P energy: -47.497
tors. eta vs tors. theta energy: -81.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -891.374186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.374186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.374186 (E_RNA)
where:
Base-Base interactions energy: -617.286
where: short stacking energy: -272.257
Base-Backbone interact. energy: -2.025
local terms energy: -272.063225
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -58.220
flat angles C4'-P-C4' energy: -64.167
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -66.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -855.813265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.813265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.813265 (E_RNA)
where:
Base-Base interactions energy: -563.359
where: short stacking energy: -255.859
Base-Backbone interact. energy: -1.730
local terms energy: -290.724686
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -46.495
tors. eta vs tors. theta energy: -66.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -727.918697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.918697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.918697 (E_RNA)
where:
Base-Base interactions energy: -483.617
where: short stacking energy: -204.203
Base-Backbone interact. energy: -2.125
local terms energy: -242.176266
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -49.202
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -41.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -686.152330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.152330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.152330 (E_RNA)
where:
Base-Base interactions energy: -418.476
where: short stacking energy: -202.323
Base-Backbone interact. energy: -0.845
local terms energy: -266.831039
where:
bonds (distance) C4'-P energy: -58.169
bonds (distance) P-C4' energy: -55.999
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -59.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -440.882938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.882938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.882938 (E_RNA)
where:
Base-Base interactions energy: -247.322
where: short stacking energy: -129.884
Base-Backbone interact. energy: -1.246
local terms energy: -192.315190
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -49.577
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -266.518052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.518052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.518052 (E_RNA)
where:
Base-Base interactions energy: -115.365
where: short stacking energy: -99.193
Base-Backbone interact. energy: -0.695
local terms energy: -150.458583
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1108.706786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.706786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.706786 (E_RNA)
where:
Base-Base interactions energy: -777.241
where: short stacking energy: -333.384
Base-Backbone interact. energy: -1.698
local terms energy: -329.767844
where:
bonds (distance) C4'-P energy: -64.133
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -64.934
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -97.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1098.002243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.002243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.002243 (E_RNA)
where:
Base-Base interactions energy: -773.986
where: short stacking energy: -323.423
Base-Backbone interact. energy: -2.497
local terms energy: -321.518755
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -61.460
flat angles C4'-P-C4' energy: -64.596
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -91.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1052.829538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.829538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.829538 (E_RNA)
where:
Base-Base interactions energy: -727.374
where: short stacking energy: -310.026
Base-Backbone interact. energy: -2.634
local terms energy: -322.822064
where:
bonds (distance) C4'-P energy: -56.194
bonds (distance) P-C4' energy: -63.379
flat angles C4'-P-C4' energy: -70.341
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -88.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -957.824277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.824277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.824277 (E_RNA)
where:
Base-Base interactions energy: -672.843
where: short stacking energy: -303.485
Base-Backbone interact. energy: -0.974
local terms energy: -284.007805
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -55.847
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -82.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -952.749071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.749071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.749071 (E_RNA)
where:
Base-Base interactions energy: -659.356
where: short stacking energy: -285.295
Base-Backbone interact. energy: 0.867
local terms energy: -294.259363
where:
bonds (distance) C4'-P energy: -51.432
bonds (distance) P-C4' energy: -58.766
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -79.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -877.943011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.943011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.943011 (E_RNA)
where:
Base-Base interactions energy: -596.604
where: short stacking energy: -263.299
Base-Backbone interact. energy: -0.289
local terms energy: -281.049860
where:
bonds (distance) C4'-P energy: -55.373
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -58.295
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -77.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -771.200002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.200002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.200002 (E_RNA)
where:
Base-Base interactions energy: -533.596
where: short stacking energy: -235.561
Base-Backbone interact. energy: 0.918
local terms energy: -238.521754
where:
bonds (distance) C4'-P energy: -42.052
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -58.415
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: -51.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -633.710203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.710203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.710203 (E_RNA)
where:
Base-Base interactions energy: -398.908
where: short stacking energy: -197.584
Base-Backbone interact. energy: -0.083
local terms energy: -234.719716
where:
bonds (distance) C4'-P energy: -47.641
bonds (distance) P-C4' energy: -60.027
flat angles C4'-P-C4' energy: -44.986
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -463.077539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.077539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.077539 (E_RNA)
where:
Base-Base interactions energy: -268.052
where: short stacking energy: -137.727
Base-Backbone interact. energy: 0.546
local terms energy: -195.571224
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -57.722
flat angles C4'-P-C4' energy: -45.918
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -314.164205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.164205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.164205 (E_RNA)
where:
Base-Base interactions energy: -107.022
where: short stacking energy: -95.478
Base-Backbone interact. energy: 0.429
local terms energy: -207.571341
where:
bonds (distance) C4'-P energy: -58.759
bonds (distance) P-C4' energy: -57.527
flat angles C4'-P-C4' energy: -42.695
flat angles P-C4'-P energy: -40.736
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1113.495304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.495304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.495304 (E_RNA)
where:
Base-Base interactions energy: -797.738
where: short stacking energy: -342.409
Base-Backbone interact. energy: 0.014
local terms energy: -315.771483
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -93.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1100.925951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.925951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.925951 (E_RNA)
where:
Base-Base interactions energy: -761.479
where: short stacking energy: -325.711
Base-Backbone interact. energy: -1.200
local terms energy: -338.246124
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -63.378
flat angles C4'-P-C4' energy: -71.838
flat angles P-C4'-P energy: -52.597
tors. eta vs tors. theta energy: -97.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1019.121139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.121139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.121139 (E_RNA)
where:
Base-Base interactions energy: -691.476
where: short stacking energy: -307.616
Base-Backbone interact. energy: -1.190
local terms energy: -326.454768
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -69.148
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -93.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -967.756065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.756065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.756065 (E_RNA)
where:
Base-Base interactions energy: -655.893
where: short stacking energy: -280.081
Base-Backbone interact. energy: -1.718
local terms energy: -310.145402
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -73.882
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -77.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -870.305162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.305162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.305162 (E_RNA)
where:
Base-Base interactions energy: -621.549
where: short stacking energy: -269.427
Base-Backbone interact. energy: 1.954
local terms energy: -250.709404
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -41.318
flat angles C4'-P-C4' energy: -71.337
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -72.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -892.492977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.492977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.492977 (E_RNA)
where:
Base-Base interactions energy: -601.472
where: short stacking energy: -259.645
Base-Backbone interact. energy: -0.721
local terms energy: -290.299760
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -60.688
flat angles C4'-P-C4' energy: -66.267
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -69.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -761.671906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.671906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.671906 (E_RNA)
where:
Base-Base interactions energy: -524.606
where: short stacking energy: -237.835
Base-Backbone interact. energy: -2.101
local terms energy: -234.964431
where:
bonds (distance) C4'-P energy: -45.176
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -56.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -644.938380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.938380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.938380 (E_RNA)
where:
Base-Base interactions energy: -437.641
where: short stacking energy: -198.084
Base-Backbone interact. energy: 3.544
local terms energy: -210.842010
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -57.984
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -40.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -433.663376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.663376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.663376 (E_RNA)
where:
Base-Base interactions energy: -228.713
where: short stacking energy: -123.560
Base-Backbone interact. energy: -0.697
local terms energy: -204.253138
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -320.867921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.867921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.867921 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.464
local terms energy: -182.901131
where:
bonds (distance) C4'-P energy: -57.467
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -43.392
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1109.956504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.956504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.956504 (E_RNA)
where:
Base-Base interactions energy: -788.150
where: short stacking energy: -333.327
Base-Backbone interact. energy: -2.270
local terms energy: -319.536578
where:
bonds (distance) C4'-P energy: -55.286
bonds (distance) P-C4' energy: -55.054
flat angles C4'-P-C4' energy: -74.422
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -92.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1101.426953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.426953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.426953 (E_RNA)
where:
Base-Base interactions energy: -767.265
where: short stacking energy: -346.617
Base-Backbone interact. energy: -4.281
local terms energy: -329.880876
where:
bonds (distance) C4'-P energy: -55.902
bonds (distance) P-C4' energy: -60.998
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -96.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1023.319162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.319162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.319162 (E_RNA)
where:
Base-Base interactions energy: -707.155
where: short stacking energy: -300.006
Base-Backbone interact. energy: 0.474
local terms energy: -316.637934
where:
bonds (distance) C4'-P energy: -58.248
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -69.890
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -88.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -945.705983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.705983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.705983 (E_RNA)
where:
Base-Base interactions energy: -650.040
where: short stacking energy: -268.246
Base-Backbone interact. energy: -1.390
local terms energy: -294.276196
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -72.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -879.395857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.395857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.395857 (E_RNA)
where:
Base-Base interactions energy: -616.311
where: short stacking energy: -279.977
Base-Backbone interact. energy: 2.179
local terms energy: -265.263278
where:
bonds (distance) C4'-P energy: -39.515
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -80.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -841.740189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.740189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.740189 (E_RNA)
where:
Base-Base interactions energy: -580.951
where: short stacking energy: -254.602
Base-Backbone interact. energy: -2.142
local terms energy: -258.646637
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -64.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -778.934016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.934016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.934016 (E_RNA)
where:
Base-Base interactions energy: -523.653
where: short stacking energy: -238.848
Base-Backbone interact. energy: -1.396
local terms energy: -253.885789
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -37.338
tors. eta vs tors. theta energy: -50.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -625.803055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.803055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.803055 (E_RNA)
where:
Base-Base interactions energy: -412.835
where: short stacking energy: -169.931
Base-Backbone interact. energy: 2.734
local terms energy: -215.701837
where:
bonds (distance) C4'-P energy: -52.245
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -54.291
flat angles P-C4'-P energy: -33.293
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -423.121233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.121233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.121233 (E_RNA)
where:
Base-Base interactions energy: -244.982
where: short stacking energy: -145.360
Base-Backbone interact. energy: 0.453
local terms energy: -178.592321
where:
bonds (distance) C4'-P energy: -52.408
bonds (distance) P-C4' energy: -39.577
flat angles C4'-P-C4' energy: -44.855
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -470.830327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.830327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.830327 (E_RNA)
where:
Base-Base interactions energy: -267.932
where: short stacking energy: -141.831
Base-Backbone interact. energy: -1.698
local terms energy: -201.200634
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1106.271738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.271738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.271738 (E_RNA)
where:
Base-Base interactions energy: -781.017
where: short stacking energy: -331.169
Base-Backbone interact. energy: 0.533
local terms energy: -325.787877
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -59.005
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -93.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1098.827144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.827144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.827144 (E_RNA)
where:
Base-Base interactions energy: -775.578
where: short stacking energy: -329.584
Base-Backbone interact. energy: -3.558
local terms energy: -319.690446
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -59.679
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -92.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1037.750780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.750780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.750780 (E_RNA)
where:
Base-Base interactions energy: -730.530
where: short stacking energy: -313.417
Base-Backbone interact. energy: -0.295
local terms energy: -306.925203
where:
bonds (distance) C4'-P energy: -57.058
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -60.916
flat angles P-C4'-P energy: -43.863
tors. eta vs tors. theta energy: -91.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -944.900633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.900633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.900633 (E_RNA)
where:
Base-Base interactions energy: -667.476
where: short stacking energy: -279.032
Base-Backbone interact. energy: 3.663
local terms energy: -281.087727
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -62.255
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -74.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -913.619671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.619671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.619671 (E_RNA)
where:
Base-Base interactions energy: -615.877
where: short stacking energy: -268.609
Base-Backbone interact. energy: -1.317
local terms energy: -296.425414
where:
bonds (distance) C4'-P energy: -57.129
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -61.047
flat angles P-C4'-P energy: -44.711
tors. eta vs tors. theta energy: -72.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -817.314344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.314344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.314344 (E_RNA)
where:
Base-Base interactions energy: -552.450
where: short stacking energy: -241.661
Base-Backbone interact. energy: -0.694
local terms energy: -264.170475
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -48.452
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -62.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -791.638341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.638341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.638341 (E_RNA)
where:
Base-Base interactions energy: -525.948
where: short stacking energy: -226.824
Base-Backbone interact. energy: 1.125
local terms energy: -266.815431
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -70.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -628.448053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.448053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.448053 (E_RNA)
where:
Base-Base interactions energy: -420.877
where: short stacking energy: -178.271
Base-Backbone interact. energy: 1.443
local terms energy: -209.013518
where:
bonds (distance) C4'-P energy: -47.171
bonds (distance) P-C4' energy: -40.785
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: -29.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -481.786163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.786163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.786163 (E_RNA)
where:
Base-Base interactions energy: -289.850
where: short stacking energy: -150.506
Base-Backbone interact. energy: -2.993
local terms energy: -188.943023
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -429.323232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.323232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.323232 (E_RNA)
where:
Base-Base interactions energy: -221.118
where: short stacking energy: -127.093
Base-Backbone interact. energy: -1.647
local terms energy: -206.557886
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1123.235139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.235139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.235139 (E_RNA)
where:
Base-Base interactions energy: -784.688
where: short stacking energy: -348.989
Base-Backbone interact. energy: -1.658
local terms energy: -336.888247
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -63.577
flat angles C4'-P-C4' energy: -65.384
flat angles P-C4'-P energy: -47.653
tors. eta vs tors. theta energy: -95.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1089.876143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.876143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.876143 (E_RNA)
where:
Base-Base interactions energy: -759.118
where: short stacking energy: -329.506
Base-Backbone interact. energy: -2.054
local terms energy: -328.703728
where:
bonds (distance) C4'-P energy: -60.912
bonds (distance) P-C4' energy: -70.349
flat angles C4'-P-C4' energy: -71.400
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: -89.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1049.556095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.556095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.556095 (E_RNA)
where:
Base-Base interactions energy: -735.580
where: short stacking energy: -308.341
Base-Backbone interact. energy: -1.863
local terms energy: -312.112951
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: -82.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -957.903681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.903681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.903681 (E_RNA)
where:
Base-Base interactions energy: -685.931
where: short stacking energy: -289.739
Base-Backbone interact. energy: 0.425
local terms energy: -272.398050
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -69.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -898.849000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.849000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.849000 (E_RNA)
where:
Base-Base interactions energy: -632.452
where: short stacking energy: -271.469
Base-Backbone interact. energy: -1.314
local terms energy: -265.082945
where:
bonds (distance) C4'-P energy: -52.288
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -72.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -802.582539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.582539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.582539 (E_RNA)
where:
Base-Base interactions energy: -536.896
where: short stacking energy: -246.553
Base-Backbone interact. energy: 0.848
local terms energy: -266.534854
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -62.447
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -60.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -778.266359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.266359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.266359 (E_RNA)
where:
Base-Base interactions energy: -532.455
where: short stacking energy: -231.107
Base-Backbone interact. energy: -0.649
local terms energy: -245.162358
where:
bonds (distance) C4'-P energy: -46.745
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -29.890
tors. eta vs tors. theta energy: -60.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -611.196913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.196913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.196913 (E_RNA)
where:
Base-Base interactions energy: -389.803
where: short stacking energy: -160.478
Base-Backbone interact. energy: -2.488
local terms energy: -218.905507
where:
bonds (distance) C4'-P energy: -55.707
bonds (distance) P-C4' energy: -56.984
flat angles C4'-P-C4' energy: -51.439
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -512.808389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.808389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.808389 (E_RNA)
where:
Base-Base interactions energy: -305.002
where: short stacking energy: -152.903
Base-Backbone interact. energy: 0.206
local terms energy: -208.013100
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -50.440
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -28.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -363.654894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.654894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.654894 (E_RNA)
where:
Base-Base interactions energy: -179.991
where: short stacking energy: -97.243
Base-Backbone interact. energy: 1.247
local terms energy: -184.910234
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -52.354
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1127.688304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.688304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.688304 (E_RNA)
where:
Base-Base interactions energy: -778.030
where: short stacking energy: -334.656
Base-Backbone interact. energy: -0.921
local terms energy: -348.737734
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -63.481
flat angles C4'-P-C4' energy: -73.899
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -96.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1083.880766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.880766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.880766 (E_RNA)
where:
Base-Base interactions energy: -766.015
where: short stacking energy: -319.028
Base-Backbone interact. energy: -0.848
local terms energy: -317.017544
where:
bonds (distance) C4'-P energy: -41.305
bonds (distance) P-C4' energy: -63.590
flat angles C4'-P-C4' energy: -67.546
flat angles P-C4'-P energy: -58.292
tors. eta vs tors. theta energy: -86.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1063.540458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.540458 (E_RNA)
where:
Base-Base interactions energy: -754.450
where: short stacking energy: -308.708
Base-Backbone interact. energy: -3.897
local terms energy: -305.192745
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -89.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -924.707494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.707494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.707494 (E_RNA)
where:
Base-Base interactions energy: -630.251
where: short stacking energy: -274.196
Base-Backbone interact. energy: -0.666
local terms energy: -293.789619
where:
bonds (distance) C4'-P energy: -52.649
bonds (distance) P-C4' energy: -60.371
flat angles C4'-P-C4' energy: -64.344
flat angles P-C4'-P energy: -47.110
tors. eta vs tors. theta energy: -69.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -884.202084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.202084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.202084 (E_RNA)
where:
Base-Base interactions energy: -606.902
where: short stacking energy: -275.830
Base-Backbone interact. energy: 1.333
local terms energy: -278.632961
where:
bonds (distance) C4'-P energy: -53.429
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -33.578
tors. eta vs tors. theta energy: -67.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -827.095981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.095981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.095981 (E_RNA)
where:
Base-Base interactions energy: -536.857
where: short stacking energy: -252.872
Base-Backbone interact. energy: -0.499
local terms energy: -289.740011
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -70.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -750.241487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.241487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.241487 (E_RNA)
where:
Base-Base interactions energy: -509.524
where: short stacking energy: -219.775
Base-Backbone interact. energy: -0.685
local terms energy: -240.031956
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -42.900
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -586.364211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.364211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.364211 (E_RNA)
where:
Base-Base interactions energy: -360.128
where: short stacking energy: -154.966
Base-Backbone interact. energy: -0.716
local terms energy: -225.520654
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -493.364594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.364594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.364594 (E_RNA)
where:
Base-Base interactions energy: -306.078
where: short stacking energy: -153.448
Base-Backbone interact. energy: 1.225
local terms energy: -188.511653
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -43.248
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -262.399632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.399632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.399632 (E_RNA)
where:
Base-Base interactions energy: -77.101
where: short stacking energy: -62.943
Base-Backbone interact. energy: -1.535
local terms energy: -183.764001
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -36.367
tors. eta vs tors. theta energy: 9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1127.628116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.628116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.628116 (E_RNA)
where:
Base-Base interactions energy: -808.421
where: short stacking energy: -344.283
Base-Backbone interact. energy: -0.214
local terms energy: -318.992883
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -63.168
flat angles C4'-P-C4' energy: -67.757
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -94.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1089.315639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.315639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.315639 (E_RNA)
where:
Base-Base interactions energy: -751.848
where: short stacking energy: -307.602
Base-Backbone interact. energy: -2.432
local terms energy: -335.035597
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: -87.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1032.873600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.873600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.873600 (E_RNA)
where:
Base-Base interactions energy: -721.118
where: short stacking energy: -307.053
Base-Backbone interact. energy: -0.656
local terms energy: -311.099399
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -59.167
flat angles C4'-P-C4' energy: -62.399
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -94.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -946.766161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.766161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.766161 (E_RNA)
where:
Base-Base interactions energy: -639.756
where: short stacking energy: -271.098
Base-Backbone interact. energy: -1.503
local terms energy: -305.506757
where:
bonds (distance) C4'-P energy: -56.400
bonds (distance) P-C4' energy: -63.558
flat angles C4'-P-C4' energy: -65.773
flat angles P-C4'-P energy: -44.197
tors. eta vs tors. theta energy: -75.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -880.368294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.368294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.368294 (E_RNA)
where:
Base-Base interactions energy: -616.986
where: short stacking energy: -273.251
Base-Backbone interact. energy: 2.159
local terms energy: -265.540927
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -70.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -816.866376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.866376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.866376 (E_RNA)
where:
Base-Base interactions energy: -544.492
where: short stacking energy: -249.556
Base-Backbone interact. energy: -1.765
local terms energy: -270.609363
where:
bonds (distance) C4'-P energy: -45.657
bonds (distance) P-C4' energy: -56.114
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -39.186
tors. eta vs tors. theta energy: -72.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -722.375135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.375135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.375135 (E_RNA)
where:
Base-Base interactions energy: -486.638
where: short stacking energy: -216.862
Base-Backbone interact. energy: -0.703
local terms energy: -235.034673
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -50.432
flat angles P-C4'-P energy: -36.576
tors. eta vs tors. theta energy: -50.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -646.506199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.506199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.506199 (E_RNA)
where:
Base-Base interactions energy: -429.746
where: short stacking energy: -170.472
Base-Backbone interact. energy: -1.110
local terms energy: -215.650820
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -526.160772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.160772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.160772 (E_RNA)
where:
Base-Base interactions energy: -295.286
where: short stacking energy: -155.272
Base-Backbone interact. energy: -1.424
local terms energy: -229.450808
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -59.879
flat angles C4'-P-C4' energy: -53.205
flat angles P-C4'-P energy: -35.650
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -270.179632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.179632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.179632 (E_RNA)
where:
Base-Base interactions energy: -114.932
where: short stacking energy: -103.869
Base-Backbone interact. energy: 0.079
local terms energy: -155.327047
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1116.130263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.130263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.130263 (E_RNA)
where:
Base-Base interactions energy: -785.411
where: short stacking energy: -329.815
Base-Backbone interact. energy: -0.687
local terms energy: -330.032178
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -62.692
flat angles C4'-P-C4' energy: -69.918
flat angles P-C4'-P energy: -44.586
tors. eta vs tors. theta energy: -94.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1098.011292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.011292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.011292 (E_RNA)
where:
Base-Base interactions energy: -757.987
where: short stacking energy: -312.723
Base-Backbone interact. energy: -0.275
local terms energy: -339.748629
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -52.502
tors. eta vs tors. theta energy: -90.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1024.462821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.462821 (E_RNA)
where:
Base-Base interactions energy: -702.126
where: short stacking energy: -290.492
Base-Backbone interact. energy: -0.629
local terms energy: -321.707759
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -54.962
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -83.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -952.452158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.452158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.452158 (E_RNA)
where:
Base-Base interactions energy: -664.680
where: short stacking energy: -292.121
Base-Backbone interact. energy: -1.825
local terms energy: -285.947564
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -64.914
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: -83.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -908.468578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.468578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.468578 (E_RNA)
where:
Base-Base interactions energy: -630.144
where: short stacking energy: -267.445
Base-Backbone interact. energy: -0.755
local terms energy: -277.570089
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -37.623
tors. eta vs tors. theta energy: -77.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -793.349816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.349816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.349816 (E_RNA)
where:
Base-Base interactions energy: -528.688
where: short stacking energy: -237.406
Base-Backbone interact. energy: -0.127
local terms energy: -264.535125
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -55.285
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -65.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -736.405440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.405440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.405440 (E_RNA)
where:
Base-Base interactions energy: -501.130
where: short stacking energy: -217.126
Base-Backbone interact. energy: 0.929
local terms energy: -236.204206
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -28.723
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -617.470728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.470728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.470728 (E_RNA)
where:
Base-Base interactions energy: -391.714
where: short stacking energy: -176.748
Base-Backbone interact. energy: -0.688
local terms energy: -225.069504
where:
bonds (distance) C4'-P energy: -48.836
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -33.142
tors. eta vs tors. theta energy: -36.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -508.053729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.053729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.053729 (E_RNA)
where:
Base-Base interactions energy: -288.552
where: short stacking energy: -156.104
Base-Backbone interact. energy: 0.103
local terms energy: -219.604071
where:
bonds (distance) C4'-P energy: -55.816
bonds (distance) P-C4' energy: -60.683
flat angles C4'-P-C4' energy: -53.016
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -307.223138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.223138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.223138 (E_RNA)
where:
Base-Base interactions energy: -141.968
where: short stacking energy: -96.240
Base-Backbone interact. energy: 4.631
local terms energy: -169.886528
where:
bonds (distance) C4'-P energy: -51.339
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1117.784886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.784886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.784886 (E_RNA)
where:
Base-Base interactions energy: -792.219
where: short stacking energy: -342.423
Base-Backbone interact. energy: -1.437
local terms energy: -324.129052
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -65.034
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -96.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1034.066374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.066374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.066374 (E_RNA)
where:
Base-Base interactions energy: -711.254
where: short stacking energy: -309.276
Base-Backbone interact. energy: 5.487
local terms energy: -328.299344
where:
bonds (distance) C4'-P energy: -61.015
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -69.964
flat angles P-C4'-P energy: -43.950
tors. eta vs tors. theta energy: -92.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1049.889434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.889434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.889434 (E_RNA)
where:
Base-Base interactions energy: -747.814
where: short stacking energy: -302.534
Base-Backbone interact. energy: -1.497
local terms energy: -300.578373
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -44.247
flat angles C4'-P-C4' energy: -71.709
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -88.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -972.905821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.905821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.905821 (E_RNA)
where:
Base-Base interactions energy: -673.161
where: short stacking energy: -280.091
Base-Backbone interact. energy: -0.955
local terms energy: -298.789798
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -70.357
flat angles P-C4'-P energy: -47.713
tors. eta vs tors. theta energy: -84.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -869.784362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.784362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.784362 (E_RNA)
where:
Base-Base interactions energy: -601.053
where: short stacking energy: -271.815
Base-Backbone interact. energy: -0.479
local terms energy: -268.252760
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -37.450
tors. eta vs tors. theta energy: -73.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -810.556881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.556881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.556881 (E_RNA)
where:
Base-Base interactions energy: -538.078
where: short stacking energy: -235.733
Base-Backbone interact. energy: -1.833
local terms energy: -270.645590
where:
bonds (distance) C4'-P energy: -59.338
bonds (distance) P-C4' energy: -56.231
flat angles C4'-P-C4' energy: -54.271
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -63.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -754.536390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.536390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.536390 (E_RNA)
where:
Base-Base interactions energy: -504.652
where: short stacking energy: -224.202
Base-Backbone interact. energy: -2.249
local terms energy: -247.634888
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -54.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -618.950301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.950301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.950301 (E_RNA)
where:
Base-Base interactions energy: -432.037
where: short stacking energy: -188.842
Base-Backbone interact. energy: -0.313
local terms energy: -186.600242
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -42.468
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -27.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -552.290376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.290376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.290376 (E_RNA)
where:
Base-Base interactions energy: -328.937
where: short stacking energy: -156.079
Base-Backbone interact. energy: -1.121
local terms energy: -222.232871
where:
bonds (distance) C4'-P energy: -52.892
bonds (distance) P-C4' energy: -57.598
flat angles C4'-P-C4' energy: -52.085
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -29.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -264.117723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.117723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.117723 (E_RNA)
where:
Base-Base interactions energy: -116.627
where: short stacking energy: -85.461
Base-Backbone interact. energy: 2.921
local terms energy: -150.410991
where:
bonds (distance) C4'-P energy: -39.640
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1114.171061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.171061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.171061 (E_RNA)
where:
Base-Base interactions energy: -772.075
where: short stacking energy: -332.999
Base-Backbone interact. energy: -2.119
local terms energy: -339.977240
where:
bonds (distance) C4'-P energy: -61.599
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -67.636
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -99.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1052.266299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.266299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.266299 (E_RNA)
where:
Base-Base interactions energy: -732.262
where: short stacking energy: -309.560
Base-Backbone interact. energy: -0.812
local terms energy: -319.192235
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -63.931
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -88.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1066.686677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.686677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.686677 (E_RNA)
where:
Base-Base interactions energy: -755.180
where: short stacking energy: -306.399
Base-Backbone interact. energy: -1.841
local terms energy: -309.664908
where:
bonds (distance) C4'-P energy: -59.737
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -68.635
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -91.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -971.447728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.447728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.447728 (E_RNA)
where:
Base-Base interactions energy: -664.831
where: short stacking energy: -302.774
Base-Backbone interact. energy: -1.127
local terms energy: -305.489418
where:
bonds (distance) C4'-P energy: -52.805
bonds (distance) P-C4' energy: -68.656
flat angles C4'-P-C4' energy: -56.000
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -80.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -874.258584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.258584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.258584 (E_RNA)
where:
Base-Base interactions energy: -589.207
where: short stacking energy: -262.282
Base-Backbone interact. energy: -2.390
local terms energy: -282.661071
where:
bonds (distance) C4'-P energy: -56.900
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -59.953
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -70.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -864.508992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.508992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.508992 (E_RNA)
where:
Base-Base interactions energy: -589.926
where: short stacking energy: -260.304
Base-Backbone interact. energy: -0.860
local terms energy: -273.722976
where:
bonds (distance) C4'-P energy: -59.187
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -63.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -757.948256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.948256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.948256 (E_RNA)
where:
Base-Base interactions energy: -483.441
where: short stacking energy: -213.024
Base-Backbone interact. energy: -1.130
local terms energy: -273.377112
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -55.416
flat angles C4'-P-C4' energy: -68.094
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -51.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -655.188862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.188862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.188862 (E_RNA)
where:
Base-Base interactions energy: -443.330
where: short stacking energy: -179.084
Base-Backbone interact. energy: -2.760
local terms energy: -209.099362
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -500.324224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.324224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.324224 (E_RNA)
where:
Base-Base interactions energy: -293.576
where: short stacking energy: -151.454
Base-Backbone interact. energy: -0.937
local terms energy: -205.811307
where:
bonds (distance) C4'-P energy: -50.516
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -44.538
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -269.295497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.295497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.295497 (E_RNA)
where:
Base-Base interactions energy: -111.932
where: short stacking energy: -83.797
Base-Backbone interact. energy: -0.628
local terms energy: -156.735332
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -45.683
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: 11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1108.445801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.445801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.445801 (E_RNA)
where:
Base-Base interactions energy: -778.304
where: short stacking energy: -336.407
Base-Backbone interact. energy: -1.511
local terms energy: -328.630509
where:
bonds (distance) C4'-P energy: -59.330
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -70.110
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -98.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1090.443090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.443090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.443090 (E_RNA)
where:
Base-Base interactions energy: -770.475
where: short stacking energy: -312.873
Base-Backbone interact. energy: -1.847
local terms energy: -318.121355
where:
bonds (distance) C4'-P energy: -65.242
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -68.314
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -87.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1020.341162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.341162 (E_RNA)
where:
Base-Base interactions energy: -724.602
where: short stacking energy: -316.825
Base-Backbone interact. energy: -1.851
local terms energy: -293.888449
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -53.792
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -84.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -998.857772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.857772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.857772 (E_RNA)
where:
Base-Base interactions energy: -699.925
where: short stacking energy: -291.026
Base-Backbone interact. energy: -1.222
local terms energy: -297.711224
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -55.022
flat angles C4'-P-C4' energy: -70.445
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -87.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -846.860701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.860701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.860701 (E_RNA)
where:
Base-Base interactions energy: -575.708
where: short stacking energy: -276.348
Base-Backbone interact. energy: -1.828
local terms energy: -269.324740
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -28.807
tors. eta vs tors. theta energy: -73.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -878.565610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.565610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.565610 (E_RNA)
where:
Base-Base interactions energy: -619.237
where: short stacking energy: -249.537
Base-Backbone interact. energy: 1.374
local terms energy: -260.702616
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -54.048
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -64.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -745.123243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.123243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.123243 (E_RNA)
where:
Base-Base interactions energy: -497.293
where: short stacking energy: -203.557
Base-Backbone interact. energy: -1.255
local terms energy: -246.574604
where:
bonds (distance) C4'-P energy: -54.360
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -56.228
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -662.378014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.378014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.378014 (E_RNA)
where:
Base-Base interactions energy: -432.503
where: short stacking energy: -191.634
Base-Backbone interact. energy: -0.695
local terms energy: -229.179868
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -58.186
flat angles C4'-P-C4' energy: -45.926
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: -37.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -494.893925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.893925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.893925 (E_RNA)
where:
Base-Base interactions energy: -303.767
where: short stacking energy: -164.030
Base-Backbone interact. energy: 0.516
local terms energy: -191.642891
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -49.229
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -253.136280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.136280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.136280 (E_RNA)
where:
Base-Base interactions energy: -87.110
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.225
local terms energy: -165.801491
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -51.341
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -29.354
tors. eta vs tors. theta energy: 10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1102.019912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.019912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.019912 (E_RNA)
where:
Base-Base interactions energy: -787.372
where: short stacking energy: -323.377
Base-Backbone interact. energy: -1.118
local terms energy: -313.529905
where:
bonds (distance) C4'-P energy: -63.959
bonds (distance) P-C4' energy: -54.920
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -89.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1089.872234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.872234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.872234 (E_RNA)
where:
Base-Base interactions energy: -751.047
where: short stacking energy: -326.135
Base-Backbone interact. energy: -1.441
local terms energy: -337.384142
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -66.525
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -92.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1022.942526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.942526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.942526 (E_RNA)
where:
Base-Base interactions energy: -701.386
where: short stacking energy: -275.314
Base-Backbone interact. energy: -1.500
local terms energy: -320.056836
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -85.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -995.217289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.217289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.217289 (E_RNA)
where:
Base-Base interactions energy: -688.022
where: short stacking energy: -285.965
Base-Backbone interact. energy: -0.414
local terms energy: -306.780893
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -52.164
flat angles C4'-P-C4' energy: -68.621
flat angles P-C4'-P energy: -50.644
tors. eta vs tors. theta energy: -88.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -885.293945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.293945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.293945 (E_RNA)
where:
Base-Base interactions energy: -606.543
where: short stacking energy: -291.047
Base-Backbone interact. energy: -0.295
local terms energy: -278.456776
where:
bonds (distance) C4'-P energy: -55.744
bonds (distance) P-C4' energy: -45.224
flat angles C4'-P-C4' energy: -63.617
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -71.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -841.494246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.494246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.494246 (E_RNA)
where:
Base-Base interactions energy: -563.505
where: short stacking energy: -244.246
Base-Backbone interact. energy: -1.290
local terms energy: -276.698931
where:
bonds (distance) C4'-P energy: -60.318
bonds (distance) P-C4' energy: -53.036
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: -67.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -779.378615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.378615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.378615 (E_RNA)
where:
Base-Base interactions energy: -507.371
where: short stacking energy: -221.400
Base-Backbone interact. energy: 0.561
local terms energy: -272.568536
where:
bonds (distance) C4'-P energy: -64.426
bonds (distance) P-C4' energy: -54.329
flat angles C4'-P-C4' energy: -51.693
flat angles P-C4'-P energy: -39.106
tors. eta vs tors. theta energy: -63.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -698.908205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.908205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.908205 (E_RNA)
where:
Base-Base interactions energy: -448.595
where: short stacking energy: -186.118
Base-Backbone interact. energy: -0.954
local terms energy: -249.359360
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -58.133
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -37.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -478.395174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.395174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.395174 (E_RNA)
where:
Base-Base interactions energy: -287.420
where: short stacking energy: -124.665
Base-Backbone interact. energy: -1.780
local terms energy: -189.195662
where:
bonds (distance) C4'-P energy: -40.858
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -52.214
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -275.838183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.838183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.838183 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -79.679
Base-Backbone interact. energy: 0.084
local terms energy: -154.816754
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -52.005
flat angles C4'-P-C4' energy: -40.557
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: 9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1111.368057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.368057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.368057 (E_RNA)
where:
Base-Base interactions energy: -783.177
where: short stacking energy: -319.377
Base-Backbone interact. energy: -1.398
local terms energy: -326.793087
where:
bonds (distance) C4'-P energy: -68.046
bonds (distance) P-C4' energy: -62.484
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -40.571
tors. eta vs tors. theta energy: -89.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1077.008588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.008588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.008588 (E_RNA)
where:
Base-Base interactions energy: -760.130
where: short stacking energy: -332.898
Base-Backbone interact. energy: 0.999
local terms energy: -317.877303
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -67.932
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -89.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1001.181725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.181725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.181725 (E_RNA)
where:
Base-Base interactions energy: -698.121
where: short stacking energy: -303.231
Base-Backbone interact. energy: -2.142
local terms energy: -300.919138
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -56.090
flat angles C4'-P-C4' energy: -64.586
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -90.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -989.934560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.934560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.934560 (E_RNA)
where:
Base-Base interactions energy: -670.133
where: short stacking energy: -290.789
Base-Backbone interact. energy: -3.993
local terms energy: -315.808240
where:
bonds (distance) C4'-P energy: -65.664
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -65.822
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: -79.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -907.396784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.396784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.396784 (E_RNA)
where:
Base-Base interactions energy: -621.611
where: short stacking energy: -289.822
Base-Backbone interact. energy: -1.111
local terms energy: -284.675086
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -60.898
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -81.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -822.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.092146 (E_RNA)
where:
Base-Base interactions energy: -557.857
where: short stacking energy: -243.561
Base-Backbone interact. energy: -0.307
local terms energy: -263.928247
where:
bonds (distance) C4'-P energy: -46.790
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -60.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -828.748313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.748313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.748313 (E_RNA)
where:
Base-Base interactions energy: -564.809
where: short stacking energy: -258.479
Base-Backbone interact. energy: -2.486
local terms energy: -261.452700
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -49.397
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -697.782767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.782767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.782767 (E_RNA)
where:
Base-Base interactions energy: -448.053
where: short stacking energy: -201.397
Base-Backbone interact. energy: -1.015
local terms energy: -248.714852
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -495.876296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.876296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.876296 (E_RNA)
where:
Base-Base interactions energy: -303.101
where: short stacking energy: -154.210
Base-Backbone interact. energy: -1.296
local terms energy: -191.479376
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -33.547
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -325.923173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.923173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.923173 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -100.038
Base-Backbone interact. energy: -1.595
local terms energy: -168.003700
where:
bonds (distance) C4'-P energy: -56.276
bonds (distance) P-C4' energy: -47.294
flat angles C4'-P-C4' energy: -50.203
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: 6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1098.350228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.350228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.350228 (E_RNA)
where:
Base-Base interactions energy: -771.619
where: short stacking energy: -330.406
Base-Backbone interact. energy: 0.814
local terms energy: -327.545208
where:
bonds (distance) C4'-P energy: -61.471
bonds (distance) P-C4' energy: -62.705
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -45.949
tors. eta vs tors. theta energy: -89.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1092.058539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.058539 (E_RNA)
where:
Base-Base interactions energy: -770.484
where: short stacking energy: -322.898
Base-Backbone interact. energy: -1.078
local terms energy: -320.497337
where:
bonds (distance) C4'-P energy: -58.069
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -68.826
flat angles P-C4'-P energy: -42.242
tors. eta vs tors. theta energy: -91.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1005.421156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.421156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.421156 (E_RNA)
where:
Base-Base interactions energy: -695.582
where: short stacking energy: -297.872
Base-Backbone interact. energy: -1.049
local terms energy: -308.790766
where:
bonds (distance) C4'-P energy: -57.850
bonds (distance) P-C4' energy: -62.528
flat angles C4'-P-C4' energy: -71.537
flat angles P-C4'-P energy: -34.883
tors. eta vs tors. theta energy: -81.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1005.864937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.864937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.864937 (E_RNA)
where:
Base-Base interactions energy: -703.673
where: short stacking energy: -277.512
Base-Backbone interact. energy: -1.230
local terms energy: -300.961468
where:
bonds (distance) C4'-P energy: -56.796
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -60.405
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -77.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -868.570817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.570817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.570817 (E_RNA)
where:
Base-Base interactions energy: -572.302
where: short stacking energy: -273.137
Base-Backbone interact. energy: -0.761
local terms energy: -295.508222
where:
bonds (distance) C4'-P energy: -47.651
bonds (distance) P-C4' energy: -60.727
flat angles C4'-P-C4' energy: -72.625
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -74.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -798.770336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.770336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.770336 (E_RNA)
where:
Base-Base interactions energy: -554.403
where: short stacking energy: -237.969
Base-Backbone interact. energy: -1.681
local terms energy: -242.686352
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -39.205
flat angles C4'-P-C4' energy: -57.641
flat angles P-C4'-P energy: -44.515
tors. eta vs tors. theta energy: -54.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -796.527423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.527423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.527423 (E_RNA)
where:
Base-Base interactions energy: -525.381
where: short stacking energy: -234.869
Base-Backbone interact. energy: 0.809
local terms energy: -271.955315
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -55.819
flat angles C4'-P-C4' energy: -68.687
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -56.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -727.073541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.073541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.073541 (E_RNA)
where:
Base-Base interactions energy: -484.836
where: short stacking energy: -201.366
Base-Backbone interact. energy: -0.510
local terms energy: -241.727361
where:
bonds (distance) C4'-P energy: -45.799
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -56.090
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -55.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -504.230008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.230008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.230008 (E_RNA)
where:
Base-Base interactions energy: -304.250
where: short stacking energy: -141.996
Base-Backbone interact. energy: -0.436
local terms energy: -199.544491
where:
bonds (distance) C4'-P energy: -47.927
bonds (distance) P-C4' energy: -53.198
flat angles C4'-P-C4' energy: -54.957
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -379.025776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.025776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.025776 (E_RNA)
where:
Base-Base interactions energy: -210.996
where: short stacking energy: -107.790
Base-Backbone interact. energy: -0.347
local terms energy: -167.682447
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1099.216993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.216993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.216993 (E_RNA)
where:
Base-Base interactions energy: -770.438
where: short stacking energy: -327.267
Base-Backbone interact. energy: -1.993
local terms energy: -326.786502
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -63.971
flat angles P-C4'-P energy: -48.724
tors. eta vs tors. theta energy: -86.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1076.518383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.518383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.518383 (E_RNA)
where:
Base-Base interactions energy: -759.178
where: short stacking energy: -323.707
Base-Backbone interact. energy: -1.166
local terms energy: -316.173985
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -54.126
flat angles C4'-P-C4' energy: -64.609
flat angles P-C4'-P energy: -47.875
tors. eta vs tors. theta energy: -91.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1033.685345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.685345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.685345 (E_RNA)
where:
Base-Base interactions energy: -714.246
where: short stacking energy: -306.533
Base-Backbone interact. energy: -1.373
local terms energy: -318.067065
where:
bonds (distance) C4'-P energy: -60.540
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -68.502
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -84.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1004.321347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.321347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.321347 (E_RNA)
where:
Base-Base interactions energy: -700.839
where: short stacking energy: -293.664
Base-Backbone interact. energy: -1.680
local terms energy: -301.801778
where:
bonds (distance) C4'-P energy: -57.693
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -67.707
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -84.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -913.561205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.561205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.561205 (E_RNA)
where:
Base-Base interactions energy: -617.726
where: short stacking energy: -269.787
Base-Backbone interact. energy: -2.768
local terms energy: -293.067081
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -66.883
flat angles P-C4'-P energy: -38.014
tors. eta vs tors. theta energy: -79.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -778.471869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.471869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.471869 (E_RNA)
where:
Base-Base interactions energy: -526.694
where: short stacking energy: -233.587
Base-Backbone interact. energy: -2.361
local terms energy: -249.416497
where:
bonds (distance) C4'-P energy: -54.028
bonds (distance) P-C4' energy: -41.530
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -63.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -804.437098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.437098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.437098 (E_RNA)
where:
Base-Base interactions energy: -562.834
where: short stacking energy: -231.285
Base-Backbone interact. energy: -0.464
local terms energy: -241.139565
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -58.074
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -49.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -709.412703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.412703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.412703 (E_RNA)
where:
Base-Base interactions energy: -469.306
where: short stacking energy: -200.339
Base-Backbone interact. energy: 0.627
local terms energy: -240.733255
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -60.016
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -39.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -462.685525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.685525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.685525 (E_RNA)
where:
Base-Base interactions energy: -246.502
where: short stacking energy: -142.214
Base-Backbone interact. energy: 1.337
local terms energy: -217.520797
where:
bonds (distance) C4'-P energy: -58.411
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -51.364
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -28.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -355.786524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.786524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.786524 (E_RNA)
where:
Base-Base interactions energy: -171.309
where: short stacking energy: -81.691
Base-Backbone interact. energy: 1.688
local terms energy: -186.165539
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -50.022
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1106.126725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.126725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.126725 (E_RNA)
where:
Base-Base interactions energy: -785.050
where: short stacking energy: -334.837
Base-Backbone interact. energy: -1.845
local terms energy: -319.231848
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -49.776
tors. eta vs tors. theta energy: -87.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1081.039982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.039982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.039982 (E_RNA)
where:
Base-Base interactions energy: -757.391
where: short stacking energy: -313.086
Base-Backbone interact. energy: -2.064
local terms energy: -321.584293
where:
bonds (distance) C4'-P energy: -57.617
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -69.210
flat angles P-C4'-P energy: -43.266
tors. eta vs tors. theta energy: -88.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1043.719003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.719003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.719003 (E_RNA)
where:
Base-Base interactions energy: -739.673
where: short stacking energy: -309.312
Base-Backbone interact. energy: -2.033
local terms energy: -302.012386
where:
bonds (distance) C4'-P energy: -60.164
bonds (distance) P-C4' energy: -58.653
flat angles C4'-P-C4' energy: -57.222
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -87.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1042.774098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.774098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.774098 (E_RNA)
where:
Base-Base interactions energy: -729.385
where: short stacking energy: -306.122
Base-Backbone interact. energy: -4.243
local terms energy: -309.146486
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -57.146
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -47.995
tors. eta vs tors. theta energy: -92.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -891.741495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.741495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.741495 (E_RNA)
where:
Base-Base interactions energy: -605.186
where: short stacking energy: -276.994
Base-Backbone interact. energy: 0.172
local terms energy: -286.727441
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -57.135
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -81.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -815.370916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.370916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.370916 (E_RNA)
where:
Base-Base interactions energy: -547.289
where: short stacking energy: -232.034
Base-Backbone interact. energy: 3.025
local terms energy: -271.106823
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -60.293
flat angles P-C4'-P energy: -40.017
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -795.035980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.035980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.035980 (E_RNA)
where:
Base-Base interactions energy: -544.324
where: short stacking energy: -238.787
Base-Backbone interact. energy: -0.684
local terms energy: -250.028102
where:
bonds (distance) C4'-P energy: -44.037
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -56.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -719.140314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.140314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.140314 (E_RNA)
where:
Base-Base interactions energy: -482.759
where: short stacking energy: -204.373
Base-Backbone interact. energy: -1.245
local terms energy: -235.136853
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -63.043
flat angles C4'-P-C4' energy: -57.924
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -50.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -477.794356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.794356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.794356 (E_RNA)
where:
Base-Base interactions energy: -278.050
where: short stacking energy: -142.027
Base-Backbone interact. energy: -0.494
local terms energy: -199.250547
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -28.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -330.929796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.929796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.929796 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -84.143
Base-Backbone interact. energy: -2.063
local terms energy: -172.952524
where:
bonds (distance) C4'-P energy: -53.411
bonds (distance) P-C4' energy: -54.933
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -24.533
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1107.818749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.818749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.818749 (E_RNA)
where:
Base-Base interactions energy: -783.956
where: short stacking energy: -330.566
Base-Backbone interact. energy: -1.553
local terms energy: -322.309560
where:
bonds (distance) C4'-P energy: -71.451
bonds (distance) P-C4' energy: -50.185
flat angles C4'-P-C4' energy: -64.290
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -92.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1081.182607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.182607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.182607 (E_RNA)
where:
Base-Base interactions energy: -765.349
where: short stacking energy: -322.518
Base-Backbone interact. energy: -0.484
local terms energy: -315.349179
where:
bonds (distance) C4'-P energy: -61.911
bonds (distance) P-C4' energy: -63.542
flat angles C4'-P-C4' energy: -60.355
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -89.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1040.654339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.654339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.654339 (E_RNA)
where:
Base-Base interactions energy: -728.827
where: short stacking energy: -309.886
Base-Backbone interact. energy: 0.557
local terms energy: -312.383630
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -54.077
flat angles C4'-P-C4' energy: -68.336
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -86.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1004.999602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.999602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.999602 (E_RNA)
where:
Base-Base interactions energy: -691.056
where: short stacking energy: -286.174
Base-Backbone interact. energy: -3.540
local terms energy: -310.403224
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -58.312
flat angles C4'-P-C4' energy: -66.179
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -83.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -895.506251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.506251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.506251 (E_RNA)
where:
Base-Base interactions energy: -601.597
where: short stacking energy: -265.827
Base-Backbone interact. energy: -0.735
local terms energy: -293.174297
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -69.021
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -77.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -824.132336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.132336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.132336 (E_RNA)
where:
Base-Base interactions energy: -577.564
where: short stacking energy: -250.404
Base-Backbone interact. energy: -1.335
local terms energy: -245.233573
where:
bonds (distance) C4'-P energy: -51.949
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -48.289
flat angles P-C4'-P energy: -26.714
tors. eta vs tors. theta energy: -64.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -817.673958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.673958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.673958 (E_RNA)
where:
Base-Base interactions energy: -547.669
where: short stacking energy: -241.589
Base-Backbone interact. energy: -0.072
local terms energy: -269.932890
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -58.376
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -70.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -711.352658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.352658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.352658 (E_RNA)
where:
Base-Base interactions energy: -475.476
where: short stacking energy: -204.208
Base-Backbone interact. energy: -0.419
local terms energy: -235.457397
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -45.345
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -39.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -482.448373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.448373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.448373 (E_RNA)
where:
Base-Base interactions energy: -279.469
where: short stacking energy: -143.845
Base-Backbone interact. energy: 0.905
local terms energy: -203.883516
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -284.812918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.812918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.812918 (E_RNA)
where:
Base-Base interactions energy: -113.752
where: short stacking energy: -78.085
Base-Backbone interact. energy: 0.717
local terms energy: -171.778120
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -45.683
flat angles P-C4'-P energy: -27.672
tors. eta vs tors. theta energy: 0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1112.260237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.260237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.260237 (E_RNA)
where:
Base-Base interactions energy: -781.070
where: short stacking energy: -321.261
Base-Backbone interact. energy: -1.097
local terms energy: -330.093807
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -62.319
flat angles C4'-P-C4' energy: -68.331
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -95.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1089.509905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.509905 (E_RNA)
where:
Base-Base interactions energy: -768.855
where: short stacking energy: -325.964
Base-Backbone interact. energy: -1.451
local terms energy: -319.204714
where:
bonds (distance) C4'-P energy: -55.277
bonds (distance) P-C4' energy: -58.369
flat angles C4'-P-C4' energy: -68.829
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -97.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -995.231497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.231497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.231497 (E_RNA)
where:
Base-Base interactions energy: -700.195
where: short stacking energy: -301.572
Base-Backbone interact. energy: -0.391
local terms energy: -294.645255
where:
bonds (distance) C4'-P energy: -55.798
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -79.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -973.741264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.741264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.741264 (E_RNA)
where:
Base-Base interactions energy: -666.386
where: short stacking energy: -286.946
Base-Backbone interact. energy: -0.606
local terms energy: -306.749641
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -60.969
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -85.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -905.941655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.941655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.941655 (E_RNA)
where:
Base-Base interactions energy: -614.471
where: short stacking energy: -275.794
Base-Backbone interact. energy: -0.419
local terms energy: -291.051683
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -58.937
flat angles P-C4'-P energy: -48.627
tors. eta vs tors. theta energy: -81.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -810.724936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.724936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.724936 (E_RNA)
where:
Base-Base interactions energy: -565.932
where: short stacking energy: -224.957
Base-Backbone interact. energy: -0.162
local terms energy: -244.631010
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -54.572
flat angles P-C4'-P energy: -42.563
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -815.693316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.693316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.693316 (E_RNA)
where:
Base-Base interactions energy: -581.843
where: short stacking energy: -254.285
Base-Backbone interact. energy: 0.456
local terms energy: -234.306896
where:
bonds (distance) C4'-P energy: -48.258
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -55.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -654.423717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.423717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.423717 (E_RNA)
where:
Base-Base interactions energy: -451.928
where: short stacking energy: -198.764
Base-Backbone interact. energy: -0.482
local terms energy: -202.014056
where:
bonds (distance) C4'-P energy: -36.718
bonds (distance) P-C4' energy: -49.967
flat angles C4'-P-C4' energy: -43.454
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -40.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -480.823808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.823808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.823808 (E_RNA)
where:
Base-Base interactions energy: -294.851
where: short stacking energy: -132.559
Base-Backbone interact. energy: 4.814
local terms energy: -190.786474
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -259.751823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.751823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.751823 (E_RNA)
where:
Base-Base interactions energy: -99.544
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.423
local terms energy: -159.784728
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: 4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1110.044609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.044609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.044609 (E_RNA)
where:
Base-Base interactions energy: -779.403
where: short stacking energy: -327.944
Base-Backbone interact. energy: -0.936
local terms energy: -329.705697
where:
bonds (distance) C4'-P energy: -64.264
bonds (distance) P-C4' energy: -56.273
flat angles C4'-P-C4' energy: -71.906
flat angles P-C4'-P energy: -42.675
tors. eta vs tors. theta energy: -94.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1036.840961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.840961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.840961 (E_RNA)
where:
Base-Base interactions energy: -709.846
where: short stacking energy: -303.492
Base-Backbone interact. energy: -2.637
local terms energy: -324.357564
where:
bonds (distance) C4'-P energy: -66.441
bonds (distance) P-C4' energy: -62.222
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -91.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1030.484547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.484547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.484547 (E_RNA)
where:
Base-Base interactions energy: -723.982
where: short stacking energy: -304.507
Base-Backbone interact. energy: 4.289
local terms energy: -310.791296
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -51.123
flat angles C4'-P-C4' energy: -62.053
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -86.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -994.860278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.860278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.860278 (E_RNA)
where:
Base-Base interactions energy: -682.188
where: short stacking energy: -308.602
Base-Backbone interact. energy: -1.369
local terms energy: -311.302871
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -94.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -879.858271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.858271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.858271 (E_RNA)
where:
Base-Base interactions energy: -597.877
where: short stacking energy: -260.028
Base-Backbone interact. energy: -0.193
local terms energy: -281.787771
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -46.114
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -76.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -818.191477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.191477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.191477 (E_RNA)
where:
Base-Base interactions energy: -560.488
where: short stacking energy: -231.009
Base-Backbone interact. energy: -1.086
local terms energy: -256.617713
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: -49.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -814.653934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.653934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.653934 (E_RNA)
where:
Base-Base interactions energy: -550.690
where: short stacking energy: -256.256
Base-Backbone interact. energy: -0.881
local terms energy: -263.083655
where:
bonds (distance) C4'-P energy: -52.063
bonds (distance) P-C4' energy: -54.062
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -64.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -686.868058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.868058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.868058 (E_RNA)
where:
Base-Base interactions energy: -442.858
where: short stacking energy: -205.310
Base-Backbone interact. energy: 3.619
local terms energy: -247.629559
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -55.901
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -497.939518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.939518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.939518 (E_RNA)
where:
Base-Base interactions energy: -311.182
where: short stacking energy: -162.197
Base-Backbone interact. energy: -1.174
local terms energy: -185.583957
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -49.557
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -260.028045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.028045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.028045 (E_RNA)
where:
Base-Base interactions energy: -92.869
where: short stacking energy: -60.537
Base-Backbone interact. energy: 0.385
local terms energy: -167.544536
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: 14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1109.995399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.995399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.995399 (E_RNA)
where:
Base-Base interactions energy: -769.385
where: short stacking energy: -327.545
Base-Backbone interact. energy: -1.658
local terms energy: -338.952524
where:
bonds (distance) C4'-P energy: -59.173
bonds (distance) P-C4' energy: -60.905
flat angles C4'-P-C4' energy: -70.521
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: -95.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1048.965025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.965025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.965025 (E_RNA)
where:
Base-Base interactions energy: -731.967
where: short stacking energy: -310.604
Base-Backbone interact. energy: -0.576
local terms energy: -316.422826
where:
bonds (distance) C4'-P energy: -55.912
bonds (distance) P-C4' energy: -65.235
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -86.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1027.846113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.846113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.846113 (E_RNA)
where:
Base-Base interactions energy: -699.459
where: short stacking energy: -311.867
Base-Backbone interact. energy: 1.787
local terms energy: -330.174348
where:
bonds (distance) C4'-P energy: -66.771
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -72.589
flat angles P-C4'-P energy: -43.795
tors. eta vs tors. theta energy: -90.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -993.719074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.719074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.719074 (E_RNA)
where:
Base-Base interactions energy: -682.666
where: short stacking energy: -301.409
Base-Backbone interact. energy: -1.094
local terms energy: -309.958722
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -67.241
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -84.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -891.512500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.512500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.512500 (E_RNA)
where:
Base-Base interactions energy: -596.418
where: short stacking energy: -266.764
Base-Backbone interact. energy: -0.624
local terms energy: -294.470108
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -57.290
flat angles C4'-P-C4' energy: -64.317
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -78.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -848.297589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.297589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.297589 (E_RNA)
where:
Base-Base interactions energy: -585.283
where: short stacking energy: -239.085
Base-Backbone interact. energy: -2.622
local terms energy: -260.392320
where:
bonds (distance) C4'-P energy: -45.822
bonds (distance) P-C4' energy: -58.481
flat angles C4'-P-C4' energy: -56.699
flat angles P-C4'-P energy: -44.469
tors. eta vs tors. theta energy: -54.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -799.870217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.870217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.870217 (E_RNA)
where:
Base-Base interactions energy: -525.394
where: short stacking energy: -234.393
Base-Backbone interact. energy: -0.640
local terms energy: -273.835399
where:
bonds (distance) C4'-P energy: -44.812
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -58.355
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: -60.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -685.640250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.640250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.640250 (E_RNA)
where:
Base-Base interactions energy: -457.052
where: short stacking energy: -205.127
Base-Backbone interact. energy: -1.165
local terms energy: -227.423420
where:
bonds (distance) C4'-P energy: -49.183
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -60.234
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -509.908364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.908364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.908364 (E_RNA)
where:
Base-Base interactions energy: -317.735
where: short stacking energy: -170.666
Base-Backbone interact. energy: -0.870
local terms energy: -191.303654
where:
bonds (distance) C4'-P energy: -35.486
bonds (distance) P-C4' energy: -54.332
flat angles C4'-P-C4' energy: -42.547
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -260.162700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.162700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.162700 (E_RNA)
where:
Base-Base interactions energy: -104.560
where: short stacking energy: -62.167
Base-Backbone interact. energy: 1.603
local terms energy: -157.205779
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -57.265
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: 9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1103.831944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.831944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.831944 (E_RNA)
where:
Base-Base interactions energy: -776.735
where: short stacking energy: -325.726
Base-Backbone interact. energy: 0.178
local terms energy: -327.274905
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -69.937
flat angles P-C4'-P energy: -47.129
tors. eta vs tors. theta energy: -92.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1076.066633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.066633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.066633 (E_RNA)
where:
Base-Base interactions energy: -749.679
where: short stacking energy: -329.368
Base-Backbone interact. energy: -1.169
local terms energy: -325.218096
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -65.224
flat angles C4'-P-C4' energy: -71.301
flat angles P-C4'-P energy: -45.018
tors. eta vs tors. theta energy: -87.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1015.332718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.332718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.332718 (E_RNA)
where:
Base-Base interactions energy: -710.951
where: short stacking energy: -298.235
Base-Backbone interact. energy: -0.686
local terms energy: -303.695757
where:
bonds (distance) C4'-P energy: -59.076
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -93.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -991.130516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.130516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.130516 (E_RNA)
where:
Base-Base interactions energy: -674.266
where: short stacking energy: -297.815
Base-Backbone interact. energy: -1.704
local terms energy: -315.159938
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -73.942
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -86.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -900.240091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.240091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.240091 (E_RNA)
where:
Base-Base interactions energy: -623.899
where: short stacking energy: -268.909
Base-Backbone interact. energy: -1.737
local terms energy: -274.603919
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -65.091
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -68.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -833.325742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.325742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.325742 (E_RNA)
where:
Base-Base interactions energy: -596.887
where: short stacking energy: -244.627
Base-Backbone interact. energy: -0.246
local terms energy: -236.192687
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -58.328
flat angles C4'-P-C4' energy: -50.500
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -51.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -779.334679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.334679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.334679 (E_RNA)
where:
Base-Base interactions energy: -523.301
where: short stacking energy: -227.496
Base-Backbone interact. energy: -0.642
local terms energy: -255.391652
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -53.875
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -61.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -660.047800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.047800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.047800 (E_RNA)
where:
Base-Base interactions energy: -426.798
where: short stacking energy: -192.122
Base-Backbone interact. energy: -1.391
local terms energy: -231.858771
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -47.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -539.938869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.938869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.938869 (E_RNA)
where:
Base-Base interactions energy: -338.006
where: short stacking energy: -160.293
Base-Backbone interact. energy: -1.054
local terms energy: -200.878855
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -50.976
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -252.033083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.033083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.033083 (E_RNA)
where:
Base-Base interactions energy: -94.579
where: short stacking energy: -76.085
Base-Backbone interact. energy: 1.800
local terms energy: -159.253974
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -53.337
flat angles C4'-P-C4' energy: -41.573
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1087.287546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.287546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.287546 (E_RNA)
where:
Base-Base interactions energy: -755.892
where: short stacking energy: -307.092
Base-Backbone interact. energy: -1.642
local terms energy: -329.753180
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -71.559
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -96.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1086.993025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.993025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.993025 (E_RNA)
where:
Base-Base interactions energy: -772.098
where: short stacking energy: -326.238
Base-Backbone interact. energy: -1.571
local terms energy: -313.323642
where:
bonds (distance) C4'-P energy: -53.095
bonds (distance) P-C4' energy: -56.509
flat angles C4'-P-C4' energy: -70.092
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -95.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1019.915478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.915478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.915478 (E_RNA)
where:
Base-Base interactions energy: -718.302
where: short stacking energy: -309.085
Base-Backbone interact. energy: 0.178
local terms energy: -301.792464
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -83.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -978.964486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.964486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.964486 (E_RNA)
where:
Base-Base interactions energy: -697.484
where: short stacking energy: -287.061
Base-Backbone interact. energy: -0.853
local terms energy: -280.627483
where:
bonds (distance) C4'-P energy: -61.233
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -82.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -925.897352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.897352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.897352 (E_RNA)
where:
Base-Base interactions energy: -633.366
where: short stacking energy: -277.882
Base-Backbone interact. energy: -1.542
local terms energy: -290.988786
where:
bonds (distance) C4'-P energy: -58.791
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -77.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -835.327620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.327620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.327620 (E_RNA)
where:
Base-Base interactions energy: -583.254
where: short stacking energy: -250.986
Base-Backbone interact. energy: -0.543
local terms energy: -251.530909
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -48.901
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -65.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -784.445068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.445068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.445068 (E_RNA)
where:
Base-Base interactions energy: -524.005
where: short stacking energy: -228.265
Base-Backbone interact. energy: -1.218
local terms energy: -259.222604
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -60.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -673.338539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.338539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.338539 (E_RNA)
where:
Base-Base interactions energy: -427.554
where: short stacking energy: -192.839
Base-Backbone interact. energy: -0.823
local terms energy: -244.961706
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -53.170
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -49.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -525.022057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.022057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.022057 (E_RNA)
where:
Base-Base interactions energy: -338.675
where: short stacking energy: -143.247
Base-Backbone interact. energy: -1.140
local terms energy: -185.207453
where:
bonds (distance) C4'-P energy: -50.861
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -41.977
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -276.432563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.432563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.432563 (E_RNA)
where:
Base-Base interactions energy: -86.831
where: short stacking energy: -81.240
Base-Backbone interact. energy: 3.953
local terms energy: -193.554413
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1108.854770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.854770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.854770 (E_RNA)
where:
Base-Base interactions energy: -760.354
where: short stacking energy: -341.825
Base-Backbone interact. energy: -1.232
local terms energy: -347.268977
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -62.099
flat angles C4'-P-C4' energy: -76.115
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -99.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1104.844241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.844241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.844241 (E_RNA)
where:
Base-Base interactions energy: -783.490
where: short stacking energy: -330.486
Base-Backbone interact. energy: -0.587
local terms energy: -320.766963
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -61.879
flat angles C4'-P-C4' energy: -67.544
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -93.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1044.449345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.449345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.449345 (E_RNA)
where:
Base-Base interactions energy: -726.143
where: short stacking energy: -325.378
Base-Backbone interact. energy: 0.353
local terms energy: -318.659472
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -86.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -947.944163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.944163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.944163 (E_RNA)
where:
Base-Base interactions energy: -650.465
where: short stacking energy: -294.156
Base-Backbone interact. energy: -0.055
local terms energy: -297.423551
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -76.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -961.557401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.557401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.557401 (E_RNA)
where:
Base-Base interactions energy: -663.979
where: short stacking energy: -278.468
Base-Backbone interact. energy: -0.380
local terms energy: -297.198820
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -55.546
flat angles C4'-P-C4' energy: -65.152
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -78.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -799.393451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.393451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.393451 (E_RNA)
where:
Base-Base interactions energy: -553.034
where: short stacking energy: -239.080
Base-Backbone interact. energy: 1.085
local terms energy: -247.443941
where:
bonds (distance) C4'-P energy: -38.677
bonds (distance) P-C4' energy: -56.645
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -58.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -787.282466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.282466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.282466 (E_RNA)
where:
Base-Base interactions energy: -526.910
where: short stacking energy: -245.172
Base-Backbone interact. energy: -2.232
local terms energy: -258.140112
where:
bonds (distance) C4'-P energy: -61.857
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -36.240
tors. eta vs tors. theta energy: -62.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -658.741311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.741311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.741311 (E_RNA)
where:
Base-Base interactions energy: -435.289
where: short stacking energy: -195.401
Base-Backbone interact. energy: -1.251
local terms energy: -222.201519
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -37.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -568.554761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.554761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.554761 (E_RNA)
where:
Base-Base interactions energy: -357.777
where: short stacking energy: -149.089
Base-Backbone interact. energy: -0.206
local terms energy: -210.572344
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -53.623
flat angles P-C4'-P energy: -29.144
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -309.793411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.793411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.793411 (E_RNA)
where:
Base-Base interactions energy: -132.263
where: short stacking energy: -88.654
Base-Backbone interact. energy: 0.799
local terms energy: -178.328689
where:
bonds (distance) C4'-P energy: -39.895
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -43.743
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1114.221562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.221562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.221562 (E_RNA)
where:
Base-Base interactions energy: -799.035
where: short stacking energy: -335.339
Base-Backbone interact. energy: -0.183
local terms energy: -315.004045
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -71.384
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -93.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1088.057269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.057269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.057269 (E_RNA)
where:
Base-Base interactions energy: -735.425
where: short stacking energy: -327.077
Base-Backbone interact. energy: -1.831
local terms energy: -350.801477
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -68.302
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -54.401
tors. eta vs tors. theta energy: -96.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1032.347707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.347707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.347707 (E_RNA)
where:
Base-Base interactions energy: -724.722
where: short stacking energy: -315.250
Base-Backbone interact. energy: 1.700
local terms energy: -309.325989
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -59.264
flat angles C4'-P-C4' energy: -70.612
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -85.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -908.079041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.079041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.079041 (E_RNA)
where:
Base-Base interactions energy: -615.728
where: short stacking energy: -281.728
Base-Backbone interact. energy: -0.989
local terms energy: -291.361858
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -64.144
flat angles C4'-P-C4' energy: -65.194
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -73.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -938.822278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.822278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.822278 (E_RNA)
where:
Base-Base interactions energy: -623.979
where: short stacking energy: -267.925
Base-Backbone interact. energy: -2.104
local terms energy: -312.739894
where:
bonds (distance) C4'-P energy: -61.006
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -40.632
tors. eta vs tors. theta energy: -86.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -838.999576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.999576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.999576 (E_RNA)
where:
Base-Base interactions energy: -567.651
where: short stacking energy: -236.077
Base-Backbone interact. energy: -0.756
local terms energy: -270.592108
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -61.202
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -53.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -775.904556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.904556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.904556 (E_RNA)
where:
Base-Base interactions energy: -527.757
where: short stacking energy: -247.627
Base-Backbone interact. energy: -1.454
local terms energy: -246.693696
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: -66.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -683.942803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.942803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.942803 (E_RNA)
where:
Base-Base interactions energy: -473.555
where: short stacking energy: -202.840
Base-Backbone interact. energy: -2.628
local terms energy: -207.759887
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -43.237
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -47.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -559.058269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.058269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.058269 (E_RNA)
where:
Base-Base interactions energy: -354.263
where: short stacking energy: -178.508
Base-Backbone interact. energy: 0.942
local terms energy: -205.737179
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -48.734
flat angles C4'-P-C4' energy: -46.898
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -31.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -276.865463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.865463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.865463 (E_RNA)
where:
Base-Base interactions energy: -100.201
where: short stacking energy: -96.884
Base-Backbone interact. energy: -0.399
local terms energy: -176.264624
where:
bonds (distance) C4'-P energy: -56.229
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -42.895
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: 1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1107.788630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.788630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.788630 (E_RNA)
where:
Base-Base interactions energy: -787.397
where: short stacking energy: -319.821
Base-Backbone interact. energy: -1.381
local terms energy: -319.010533
where:
bonds (distance) C4'-P energy: -56.703
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -68.518
flat angles P-C4'-P energy: -46.239
tors. eta vs tors. theta energy: -87.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1035.544201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.544201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.544201 (E_RNA)
where:
Base-Base interactions energy: -700.203
where: short stacking energy: -335.138
Base-Backbone interact. energy: -0.920
local terms energy: -334.421744
where:
bonds (distance) C4'-P energy: -56.846
bonds (distance) P-C4' energy: -67.679
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -47.439
tors. eta vs tors. theta energy: -92.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1052.245748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.245748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.245748 (E_RNA)
where:
Base-Base interactions energy: -714.343
where: short stacking energy: -297.257
Base-Backbone interact. energy: -3.065
local terms energy: -334.838434
where:
bonds (distance) C4'-P energy: -62.726
bonds (distance) P-C4' energy: -60.817
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -50.575
tors. eta vs tors. theta energy: -93.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -961.126367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.126367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.126367 (E_RNA)
where:
Base-Base interactions energy: -660.993
where: short stacking energy: -284.272
Base-Backbone interact. energy: -0.778
local terms energy: -299.354593
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -63.874
flat angles P-C4'-P energy: -39.720
tors. eta vs tors. theta energy: -85.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -846.697108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.697108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.697108 (E_RNA)
where:
Base-Base interactions energy: -558.475
where: short stacking energy: -247.089
Base-Backbone interact. energy: -1.016
local terms energy: -287.206280
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -60.807
flat angles C4'-P-C4' energy: -67.130
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -64.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -761.152202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.152202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.152202 (E_RNA)
where:
Base-Base interactions energy: -502.488
where: short stacking energy: -224.318
Base-Backbone interact. energy: -0.443
local terms energy: -258.220792
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -48.742
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -50.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -781.990919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.990919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.990919 (E_RNA)
where:
Base-Base interactions energy: -532.953
where: short stacking energy: -221.921
Base-Backbone interact. energy: -4.068
local terms energy: -244.969687
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -51.175
flat angles P-C4'-P energy: -43.761
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -660.627862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.627862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.627862 (E_RNA)
where:
Base-Base interactions energy: -443.649
where: short stacking energy: -188.673
Base-Backbone interact. energy: -0.801
local terms energy: -216.178089
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -52.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -548.930800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.930800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.930800 (E_RNA)
where:
Base-Base interactions energy: -355.534
where: short stacking energy: -172.871
Base-Backbone interact. energy: -0.492
local terms energy: -192.904482
where:
bonds (distance) C4'-P energy: -46.573
bonds (distance) P-C4' energy: -63.275
flat angles C4'-P-C4' energy: -38.060
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -272.662686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.662686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.662686 (E_RNA)
where:
Base-Base interactions energy: -108.690
where: short stacking energy: -97.877
Base-Backbone interact. energy: -0.798
local terms energy: -163.174922
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1072.281306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.281306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.281306 (E_RNA)
where:
Base-Base interactions energy: -750.318
where: short stacking energy: -340.649
Base-Backbone interact. energy: -0.408
local terms energy: -321.555666
where:
bonds (distance) C4'-P energy: -58.603
bonds (distance) P-C4' energy: -62.852
flat angles C4'-P-C4' energy: -62.876
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -96.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1087.285390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.285390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.285390 (E_RNA)
where:
Base-Base interactions energy: -759.481
where: short stacking energy: -320.117
Base-Backbone interact. energy: 1.361
local terms energy: -329.165280
where:
bonds (distance) C4'-P energy: -62.358
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -71.257
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -86.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1055.147248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.147248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.147248 (E_RNA)
where:
Base-Base interactions energy: -746.964
where: short stacking energy: -322.556
Base-Backbone interact. energy: -1.341
local terms energy: -306.841817
where:
bonds (distance) C4'-P energy: -56.565
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -63.987
flat angles P-C4'-P energy: -43.461
tors. eta vs tors. theta energy: -91.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -970.560270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.560270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.560270 (E_RNA)
where:
Base-Base interactions energy: -673.379
where: short stacking energy: -283.427
Base-Backbone interact. energy: 1.948
local terms energy: -299.128924
where:
bonds (distance) C4'-P energy: -54.294
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -84.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -894.441332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.441332 (E_RNA)
where:
Base-Base interactions energy: -593.261
where: short stacking energy: -261.756
Base-Backbone interact. energy: 2.771
local terms energy: -303.951264
where:
bonds (distance) C4'-P energy: -66.048
bonds (distance) P-C4' energy: -64.554
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -71.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -752.542137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.542137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.542137 (E_RNA)
where:
Base-Base interactions energy: -495.708
where: short stacking energy: -244.144
Base-Backbone interact. energy: -1.966
local terms energy: -254.868817
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -54.096
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -58.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -789.670482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.670482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.670482 (E_RNA)
where:
Base-Base interactions energy: -545.844
where: short stacking energy: -241.959
Base-Backbone interact. energy: -1.247
local terms energy: -242.579075
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -52.150
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -50.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -681.229332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.229332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.229332 (E_RNA)
where:
Base-Base interactions energy: -452.539
where: short stacking energy: -181.510
Base-Backbone interact. energy: -2.200
local terms energy: -226.491038
where:
bonds (distance) C4'-P energy: -54.514
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -561.964317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.964317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.964317 (E_RNA)
where:
Base-Base interactions energy: -354.722
where: short stacking energy: -188.334
Base-Backbone interact. energy: 1.603
local terms energy: -208.845412
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -57.851
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -34.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -267.423464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.423464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.423464 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.829
local terms energy: -168.158238
where:
bonds (distance) C4'-P energy: -46.501
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1095.203763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.203763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.203763 (E_RNA)
where:
Base-Base interactions energy: -765.507
where: short stacking energy: -331.676
Base-Backbone interact. energy: -0.308
local terms energy: -329.388667
where:
bonds (distance) C4'-P energy: -57.515
bonds (distance) P-C4' energy: -60.684
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -95.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1081.389377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.389377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.389377 (E_RNA)
where:
Base-Base interactions energy: -749.246
where: short stacking energy: -314.029
Base-Backbone interact. energy: 0.134
local terms energy: -332.278086
where:
bonds (distance) C4'-P energy: -59.180
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -66.695
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -93.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1045.349294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.349294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.349294 (E_RNA)
where:
Base-Base interactions energy: -724.823
where: short stacking energy: -310.742
Base-Backbone interact. energy: 2.209
local terms energy: -322.735781
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -90.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -978.736078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.736078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.736078 (E_RNA)
where:
Base-Base interactions energy: -664.969
where: short stacking energy: -288.242
Base-Backbone interact. energy: -0.661
local terms energy: -313.105920
where:
bonds (distance) C4'-P energy: -61.354
bonds (distance) P-C4' energy: -60.256
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -84.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -865.028469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.028469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.028469 (E_RNA)
where:
Base-Base interactions energy: -577.913
where: short stacking energy: -237.055
Base-Backbone interact. energy: -0.978
local terms energy: -286.137786
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -45.852
tors. eta vs tors. theta energy: -65.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -857.790409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.790409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.790409 (E_RNA)
where:
Base-Base interactions energy: -607.169
where: short stacking energy: -259.982
Base-Backbone interact. energy: -1.362
local terms energy: -249.259753
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -46.968
flat angles C4'-P-C4' energy: -55.302
flat angles P-C4'-P energy: -36.112
tors. eta vs tors. theta energy: -58.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -744.106133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.106133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.106133 (E_RNA)
where:
Base-Base interactions energy: -505.185
where: short stacking energy: -221.533
Base-Backbone interact. energy: -3.368
local terms energy: -235.553140
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -55.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -740.118068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.118068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.118068 (E_RNA)
where:
Base-Base interactions energy: -498.096
where: short stacking energy: -208.296
Base-Backbone interact. energy: -2.934
local terms energy: -239.088499
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -51.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -547.438454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.438454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.438454 (E_RNA)
where:
Base-Base interactions energy: -345.577
where: short stacking energy: -180.742
Base-Backbone interact. energy: 2.001
local terms energy: -203.862546
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -256.597689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.597689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.597689 (E_RNA)
where:
Base-Base interactions energy: -108.459
where: short stacking energy: -85.780
Base-Backbone interact. energy: -0.589
local terms energy: -147.549471
where:
bonds (distance) C4'-P energy: -42.687
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1078.568331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.568331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.568331 (E_RNA)
where:
Base-Base interactions energy: -754.896
where: short stacking energy: -336.716
Base-Backbone interact. energy: -1.044
local terms energy: -322.628954
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -68.459
flat angles P-C4'-P energy: -42.387
tors. eta vs tors. theta energy: -94.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1059.160946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.160946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.160946 (E_RNA)
where:
Base-Base interactions energy: -733.039
where: short stacking energy: -308.549
Base-Backbone interact. energy: -0.758
local terms energy: -325.364711
where:
bonds (distance) C4'-P energy: -56.515
bonds (distance) P-C4' energy: -68.687
flat angles C4'-P-C4' energy: -64.910
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -87.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1033.994390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.994390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.994390 (E_RNA)
where:
Base-Base interactions energy: -710.771
where: short stacking energy: -324.185
Base-Backbone interact. energy: -0.991
local terms energy: -322.232880
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -64.987
flat angles P-C4'-P energy: -54.250
tors. eta vs tors. theta energy: -94.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -972.353668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.353668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.353668 (E_RNA)
where:
Base-Base interactions energy: -685.184
where: short stacking energy: -289.466
Base-Backbone interact. energy: 1.451
local terms energy: -288.620641
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -38.629
tors. eta vs tors. theta energy: -88.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -899.130659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.130659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.130659 (E_RNA)
where:
Base-Base interactions energy: -620.487
where: short stacking energy: -280.501
Base-Backbone interact. energy: 0.690
local terms energy: -279.334048
where:
bonds (distance) C4'-P energy: -53.655
bonds (distance) P-C4' energy: -47.389
flat angles C4'-P-C4' energy: -63.977
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -73.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -824.306599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.306599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.306599 (E_RNA)
where:
Base-Base interactions energy: -537.737
where: short stacking energy: -231.082
Base-Backbone interact. energy: -1.075
local terms energy: -285.494911
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -56.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -771.046759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.046759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.046759 (E_RNA)
where:
Base-Base interactions energy: -530.131
where: short stacking energy: -220.696
Base-Backbone interact. energy: 0.662
local terms energy: -241.577967
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -44.748
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -53.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -732.259771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.259771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.259771 (E_RNA)
where:
Base-Base interactions energy: -490.829
where: short stacking energy: -205.062
Base-Backbone interact. energy: -2.360
local terms energy: -239.070121
where:
bonds (distance) C4'-P energy: -57.742
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -48.560
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -53.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -579.254375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.254375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.254375 (E_RNA)
where:
Base-Base interactions energy: -347.648
where: short stacking energy: -179.493
Base-Backbone interact. energy: -2.148
local terms energy: -229.457721
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -38.345
flat angles C4'-P-C4' energy: -61.324
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -46.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -246.967996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.967996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.967996 (E_RNA)
where:
Base-Base interactions energy: -88.373
where: short stacking energy: -74.675
Base-Backbone interact. energy: 6.601
local terms energy: -165.195935
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -40.930
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: 10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1088.290900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.290900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.290900 (E_RNA)
where:
Base-Base interactions energy: -761.249
where: short stacking energy: -332.485
Base-Backbone interact. energy: -0.487
local terms energy: -326.554772
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -64.478
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -99.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1080.830659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.830659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.830659 (E_RNA)
where:
Base-Base interactions energy: -767.203
where: short stacking energy: -313.737
Base-Backbone interact. energy: -1.942
local terms energy: -311.685863
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -53.107
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -93.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1035.642427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.642427 (E_RNA)
where:
Base-Base interactions energy: -703.428
where: short stacking energy: -305.490
Base-Backbone interact. energy: -2.695
local terms energy: -329.519826
where:
bonds (distance) C4'-P energy: -59.823
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -67.927
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -91.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -964.939303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.939303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.939303 (E_RNA)
where:
Base-Base interactions energy: -678.449
where: short stacking energy: -277.047
Base-Backbone interact. energy: 0.381
local terms energy: -286.871295
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -65.142
flat angles C4'-P-C4' energy: -53.462
flat angles P-C4'-P energy: -32.708
tors. eta vs tors. theta energy: -81.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -880.124027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.124027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.124027 (E_RNA)
where:
Base-Base interactions energy: -592.055
where: short stacking energy: -247.935
Base-Backbone interact. energy: -0.882
local terms energy: -287.187021
where:
bonds (distance) C4'-P energy: -54.740
bonds (distance) P-C4' energy: -53.463
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -67.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -812.922796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.922796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.922796 (E_RNA)
where:
Base-Base interactions energy: -548.015
where: short stacking energy: -216.051
Base-Backbone interact. energy: 0.653
local terms energy: -265.560622
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -59.672
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -799.497640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.497640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.497640 (E_RNA)
where:
Base-Base interactions energy: -556.526
where: short stacking energy: -233.341
Base-Backbone interact. energy: 1.025
local terms energy: -243.996614
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -66.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -742.521219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.521219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.521219 (E_RNA)
where:
Base-Base interactions energy: -496.577
where: short stacking energy: -232.643
Base-Backbone interact. energy: -1.622
local terms energy: -244.322600
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -39.311
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -60.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -562.634321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.634321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.634321 (E_RNA)
where:
Base-Base interactions energy: -362.142
where: short stacking energy: -149.492
Base-Backbone interact. energy: 1.702
local terms energy: -202.194586
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -270.327710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.327710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.327710 (E_RNA)
where:
Base-Base interactions energy: -94.730
where: short stacking energy: -64.679
Base-Backbone interact. energy: 0.039
local terms energy: -175.636869
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1094.263773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.263773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.263773 (E_RNA)
where:
Base-Base interactions energy: -771.829
where: short stacking energy: -311.362
Base-Backbone interact. energy: 1.142
local terms energy: -323.577448
where:
bonds (distance) C4'-P energy: -69.025
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -83.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1045.266335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.266335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.266335 (E_RNA)
where:
Base-Base interactions energy: -716.607
where: short stacking energy: -324.640
Base-Backbone interact. energy: -1.225
local terms energy: -327.434280
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -33.275
tors. eta vs tors. theta energy: -93.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1015.970110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.970110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.970110 (E_RNA)
where:
Base-Base interactions energy: -683.465
where: short stacking energy: -312.118
Base-Backbone interact. energy: -3.894
local terms energy: -328.610782
where:
bonds (distance) C4'-P energy: -57.405
bonds (distance) P-C4' energy: -59.494
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -93.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -979.354846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.354846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.354846 (E_RNA)
where:
Base-Base interactions energy: -655.532
where: short stacking energy: -292.193
Base-Backbone interact. energy: -3.042
local terms energy: -320.780065
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -86.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -875.220806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.220806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.220806 (E_RNA)
where:
Base-Base interactions energy: -581.203
where: short stacking energy: -239.140
Base-Backbone interact. energy: -1.207
local terms energy: -292.811518
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -62.028
flat angles C4'-P-C4' energy: -68.058
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -61.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -823.898980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.898980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.898980 (E_RNA)
where:
Base-Base interactions energy: -552.140
where: short stacking energy: -265.954
Base-Backbone interact. energy: -0.826
local terms energy: -270.932584
where:
bonds (distance) C4'-P energy: -60.134
bonds (distance) P-C4' energy: -50.835
flat angles C4'-P-C4' energy: -50.576
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -70.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -812.982859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.982859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.982859 (E_RNA)
where:
Base-Base interactions energy: -586.852
where: short stacking energy: -248.664
Base-Backbone interact. energy: 1.145
local terms energy: -227.276250
where:
bonds (distance) C4'-P energy: -46.300
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -728.006422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.006422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.006422 (E_RNA)
where:
Base-Base interactions energy: -484.481
where: short stacking energy: -216.745
Base-Backbone interact. energy: -1.821
local terms energy: -241.704359
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -55.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -519.690971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.690971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.690971 (E_RNA)
where:
Base-Base interactions energy: -360.999
where: short stacking energy: -161.598
Base-Backbone interact. energy: 3.192
local terms energy: -161.884450
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -46.162
flat angles C4'-P-C4' energy: -43.377
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -26.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -282.474907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.474907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.474907 (E_RNA)
where:
Base-Base interactions energy: -100.865
where: short stacking energy: -91.118
Base-Backbone interact. energy: -1.028
local terms energy: -180.581589
where:
bonds (distance) C4'-P energy: -53.511
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -49.411
flat angles P-C4'-P energy: -26.144
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1097.110234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.110234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.110234 (E_RNA)
where:
Base-Base interactions energy: -777.249
where: short stacking energy: -317.665
Base-Backbone interact. energy: -1.131
local terms energy: -318.730162
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -92.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1052.756309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.756309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.756309 (E_RNA)
where:
Base-Base interactions energy: -735.642
where: short stacking energy: -324.194
Base-Backbone interact. energy: -1.853
local terms energy: -315.261504
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -87.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1037.171772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.171772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.171772 (E_RNA)
where:
Base-Base interactions energy: -709.976
where: short stacking energy: -319.258
Base-Backbone interact. energy: -0.638
local terms energy: -326.557883
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -47.292
tors. eta vs tors. theta energy: -92.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -954.640224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.640224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.640224 (E_RNA)
where:
Base-Base interactions energy: -664.121
where: short stacking energy: -289.957
Base-Backbone interact. energy: -2.074
local terms energy: -288.445124
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -82.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -901.866277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.866277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.866277 (E_RNA)
where:
Base-Base interactions energy: -612.232
where: short stacking energy: -289.723
Base-Backbone interact. energy: -0.301
local terms energy: -289.333419
where:
bonds (distance) C4'-P energy: -55.509
bonds (distance) P-C4' energy: -61.620
flat angles C4'-P-C4' energy: -52.715
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -85.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -786.499841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.499841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.499841 (E_RNA)
where:
Base-Base interactions energy: -537.993
where: short stacking energy: -225.154
Base-Backbone interact. energy: 2.500
local terms energy: -251.006852
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -55.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -755.966482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.966482 (E_RNA)
where:
Base-Base interactions energy: -527.473
where: short stacking energy: -229.736
Base-Backbone interact. energy: 2.364
local terms energy: -230.857800
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -51.564
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -54.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -684.112546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.112546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.112546 (E_RNA)
where:
Base-Base interactions energy: -455.577
where: short stacking energy: -192.879
Base-Backbone interact. energy: -0.492
local terms energy: -228.042708
where:
bonds (distance) C4'-P energy: -49.031
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -49.443
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -51.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -537.107884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.107884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.107884 (E_RNA)
where:
Base-Base interactions energy: -313.230
where: short stacking energy: -144.104
Base-Backbone interact. energy: -0.138
local terms energy: -223.739550
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -70.261
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -291.298537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.298537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.298537 (E_RNA)
where:
Base-Base interactions energy: -111.984
where: short stacking energy: -89.113
Base-Backbone interact. energy: 2.014
local terms energy: -181.329081
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -59.371
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1113.326215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.326215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.326215 (E_RNA)
where:
Base-Base interactions energy: -785.843
where: short stacking energy: -331.731
Base-Backbone interact. energy: -0.737
local terms energy: -326.746560
where:
bonds (distance) C4'-P energy: -58.431
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -97.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1077.859838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.859838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.859838 (E_RNA)
where:
Base-Base interactions energy: -745.653
where: short stacking energy: -311.920
Base-Backbone interact. energy: -1.540
local terms energy: -330.667185
where:
bonds (distance) C4'-P energy: -63.906
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: -94.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1043.439282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.439282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.439282 (E_RNA)
where:
Base-Base interactions energy: -715.472
where: short stacking energy: -317.041
Base-Backbone interact. energy: 0.921
local terms energy: -328.888914
where:
bonds (distance) C4'-P energy: -53.683
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -69.265
flat angles P-C4'-P energy: -48.172
tors. eta vs tors. theta energy: -96.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -933.433560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.433560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.433560 (E_RNA)
where:
Base-Base interactions energy: -648.639
where: short stacking energy: -272.566
Base-Backbone interact. energy: -1.331
local terms energy: -283.463473
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -51.494
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -69.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -883.531584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.531584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.531584 (E_RNA)
where:
Base-Base interactions energy: -596.537
where: short stacking energy: -253.601
Base-Backbone interact. energy: -0.261
local terms energy: -286.733969
where:
bonds (distance) C4'-P energy: -52.610
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -74.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -807.499004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.499004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.499004 (E_RNA)
where:
Base-Base interactions energy: -549.708
where: short stacking energy: -231.132
Base-Backbone interact. energy: -0.173
local terms energy: -257.618643
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -47.936
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -762.461860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.461860 (E_RNA)
where:
Base-Base interactions energy: -513.372
where: short stacking energy: -223.310
Base-Backbone interact. energy: -1.680
local terms energy: -247.410050
where:
bonds (distance) C4'-P energy: -51.592
bonds (distance) P-C4' energy: -60.544
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -46.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -648.291110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.291110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.291110 (E_RNA)
where:
Base-Base interactions energy: -401.095
where: short stacking energy: -184.622
Base-Backbone interact. energy: -0.231
local terms energy: -246.965883
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -63.092
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -547.642110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.642110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.642110 (E_RNA)
where:
Base-Base interactions energy: -339.925
where: short stacking energy: -160.725
Base-Backbone interact. energy: -1.067
local terms energy: -206.650193
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -55.762
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -291.242662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.242662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.242662 (E_RNA)
where:
Base-Base interactions energy: -111.074
where: short stacking energy: -82.235
Base-Backbone interact. energy: -0.746
local terms energy: -179.422691
where:
bonds (distance) C4'-P energy: -55.321
bonds (distance) P-C4' energy: -57.144
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: 6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1118.734085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.734085 (E_RNA)
where:
Base-Base interactions energy: -783.560
where: short stacking energy: -332.770
Base-Backbone interact. energy: -1.527
local terms energy: -333.647530
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -60.852
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -44.607
tors. eta vs tors. theta energy: -94.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1065.835048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.835048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.835048 (E_RNA)
where:
Base-Base interactions energy: -741.267
where: short stacking energy: -322.970
Base-Backbone interact. energy: -0.832
local terms energy: -323.736018
where:
bonds (distance) C4'-P energy: -60.062
bonds (distance) P-C4' energy: -57.520
flat angles C4'-P-C4' energy: -65.670
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -96.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1024.840903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.840903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.840903 (E_RNA)
where:
Base-Base interactions energy: -708.358
where: short stacking energy: -325.278
Base-Backbone interact. energy: -0.001
local terms energy: -316.482012
where:
bonds (distance) C4'-P energy: -59.677
bonds (distance) P-C4' energy: -62.951
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -89.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -971.407903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.407903 (E_RNA)
where:
Base-Base interactions energy: -684.243
where: short stacking energy: -292.115
Base-Backbone interact. energy: -0.950
local terms energy: -286.215688
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -57.785
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -79.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -870.770297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.770297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.770297 (E_RNA)
where:
Base-Base interactions energy: -575.045
where: short stacking energy: -248.886
Base-Backbone interact. energy: -1.150
local terms energy: -294.575202
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -61.259
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: -70.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -856.820924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.820924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.820924 (E_RNA)
where:
Base-Base interactions energy: -571.681
where: short stacking energy: -251.392
Base-Backbone interact. energy: -2.076
local terms energy: -283.063167
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -70.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -765.620578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.620578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.620578 (E_RNA)
where:
Base-Base interactions energy: -526.423
where: short stacking energy: -220.340
Base-Backbone interact. energy: -1.034
local terms energy: -238.163702
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -33.081
tors. eta vs tors. theta energy: -49.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -629.821789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.821789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.821789 (E_RNA)
where:
Base-Base interactions energy: -377.100
where: short stacking energy: -191.989
Base-Backbone interact. energy: -0.194
local terms energy: -252.528318
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -61.301
flat angles C4'-P-C4' energy: -67.381
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -36.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -519.286970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.286970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.286970 (E_RNA)
where:
Base-Base interactions energy: -296.899
where: short stacking energy: -138.521
Base-Backbone interact. energy: -1.384
local terms energy: -221.003779
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -62.504
flat angles C4'-P-C4' energy: -53.456
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -257.780691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.780691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.780691 (E_RNA)
where:
Base-Base interactions energy: -114.329
where: short stacking energy: -90.505
Base-Backbone interact. energy: -0.225
local terms energy: -143.227318
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -44.849
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: 8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1117.633022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.633022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.633022 (E_RNA)
where:
Base-Base interactions energy: -787.778
where: short stacking energy: -336.388
Base-Backbone interact. energy: -1.083
local terms energy: -328.771279
where:
bonds (distance) C4'-P energy: -58.861
bonds (distance) P-C4' energy: -66.106
flat angles C4'-P-C4' energy: -69.758
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1084.221220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.221220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.221220 (E_RNA)
where:
Base-Base interactions energy: -757.104
where: short stacking energy: -323.500
Base-Backbone interact. energy: -1.401
local terms energy: -325.716935
where:
bonds (distance) C4'-P energy: -65.798
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -59.967
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -95.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1029.539115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.539115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.539115 (E_RNA)
where:
Base-Base interactions energy: -710.463
where: short stacking energy: -309.957
Base-Backbone interact. energy: -2.829
local terms energy: -316.246960
where:
bonds (distance) C4'-P energy: -65.103
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -72.097
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -82.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -957.933811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.933811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.933811 (E_RNA)
where:
Base-Base interactions energy: -659.041
where: short stacking energy: -285.620
Base-Backbone interact. energy: 0.419
local terms energy: -299.312500
where:
bonds (distance) C4'-P energy: -53.224
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -63.808
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -83.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -864.086113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.086113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.086113 (E_RNA)
where:
Base-Base interactions energy: -586.611
where: short stacking energy: -245.338
Base-Backbone interact. energy: -1.173
local terms energy: -276.302670
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -68.579
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -57.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -860.674503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.674503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.674503 (E_RNA)
where:
Base-Base interactions energy: -575.380
where: short stacking energy: -255.765
Base-Backbone interact. energy: -4.444
local terms energy: -280.850108
where:
bonds (distance) C4'-P energy: -65.269
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -64.054
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -70.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -778.159579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.159579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.159579 (E_RNA)
where:
Base-Base interactions energy: -527.858
where: short stacking energy: -236.759
Base-Backbone interact. energy: -1.956
local terms energy: -248.345581
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -57.737
flat angles C4'-P-C4' energy: -65.509
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -51.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -610.194390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.194390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.194390 (E_RNA)
where:
Base-Base interactions energy: -373.005
where: short stacking energy: -168.749
Base-Backbone interact. energy: 0.485
local terms energy: -237.674014
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -54.379
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -38.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -563.703253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.703253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.703253 (E_RNA)
where:
Base-Base interactions energy: -322.287
where: short stacking energy: -162.168
Base-Backbone interact. energy: 0.147
local terms energy: -241.563936
where:
bonds (distance) C4'-P energy: -49.113
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -60.210
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -41.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -258.641970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.641970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.641970 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -75.599
Base-Backbone interact. energy: 3.446
local terms energy: -164.926021
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -45.085
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1135.170183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.170183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.170183 (E_RNA)
where:
Base-Base interactions energy: -793.292
where: short stacking energy: -325.207
Base-Backbone interact. energy: 1.293
local terms energy: -343.171327
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -75.585
flat angles P-C4'-P energy: -52.273
tors. eta vs tors. theta energy: -85.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1063.706228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.706228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.706228 (E_RNA)
where:
Base-Base interactions energy: -736.395
where: short stacking energy: -321.268
Base-Backbone interact. energy: -2.103
local terms energy: -325.207470
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -68.530
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -88.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1040.590088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.590088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.590088 (E_RNA)
where:
Base-Base interactions energy: -714.389
where: short stacking energy: -311.055
Base-Backbone interact. energy: -2.036
local terms energy: -324.164967
where:
bonds (distance) C4'-P energy: -56.925
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -69.434
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -88.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -966.376903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.376903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.376903 (E_RNA)
where:
Base-Base interactions energy: -690.468
where: short stacking energy: -288.418
Base-Backbone interact. energy: -0.699
local terms energy: -275.210348
where:
bonds (distance) C4'-P energy: -56.247
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -70.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -878.676229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.676229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.676229 (E_RNA)
where:
Base-Base interactions energy: -581.963
where: short stacking energy: -270.822
Base-Backbone interact. energy: -1.324
local terms energy: -295.388880
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -59.496
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -825.533268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.533268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.533268 (E_RNA)
where:
Base-Base interactions energy: -535.724
where: short stacking energy: -213.773
Base-Backbone interact. energy: -2.353
local terms energy: -287.456152
where:
bonds (distance) C4'-P energy: -61.685
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -56.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -792.763512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.763512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.763512 (E_RNA)
where:
Base-Base interactions energy: -557.151
where: short stacking energy: -250.892
Base-Backbone interact. energy: 1.612
local terms energy: -237.224260
where:
bonds (distance) C4'-P energy: -47.469
bonds (distance) P-C4' energy: -44.663
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -32.152
tors. eta vs tors. theta energy: -62.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -620.277599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.277599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.277599 (E_RNA)
where:
Base-Base interactions energy: -381.355
where: short stacking energy: -184.749
Base-Backbone interact. energy: 0.186
local terms energy: -239.108223
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -61.992
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -42.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -552.971896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.971896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.971896 (E_RNA)
where:
Base-Base interactions energy: -326.848
where: short stacking energy: -163.589
Base-Backbone interact. energy: -0.022
local terms energy: -226.101738
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -68.063
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -27.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -330.187589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.187589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.187589 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -94.809
Base-Backbone interact. energy: -0.958
local terms energy: -181.794409
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1104.324718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.324718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.324718 (E_RNA)
where:
Base-Base interactions energy: -763.519
where: short stacking energy: -326.781
Base-Backbone interact. energy: -0.578
local terms energy: -340.227487
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -69.271
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -44.008
tors. eta vs tors. theta energy: -97.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1091.303461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.303461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.303461 (E_RNA)
where:
Base-Base interactions energy: -766.292
where: short stacking energy: -321.479
Base-Backbone interact. energy: -0.604
local terms energy: -324.407378
where:
bonds (distance) C4'-P energy: -69.727
bonds (distance) P-C4' energy: -60.675
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -91.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1037.300314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.300314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.300314 (E_RNA)
where:
Base-Base interactions energy: -729.107
where: short stacking energy: -320.937
Base-Backbone interact. energy: -2.105
local terms energy: -306.088256
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -56.627
flat angles C4'-P-C4' energy: -66.838
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -90.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -986.023998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.023998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.023998 (E_RNA)
where:
Base-Base interactions energy: -695.962
where: short stacking energy: -296.409
Base-Backbone interact. energy: -1.340
local terms energy: -288.721321
where:
bonds (distance) C4'-P energy: -56.907
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -54.371
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -86.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -881.754400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.754400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.754400 (E_RNA)
where:
Base-Base interactions energy: -615.915
where: short stacking energy: -267.385
Base-Backbone interact. energy: -1.320
local terms energy: -264.518950
where:
bonds (distance) C4'-P energy: -48.035
bonds (distance) P-C4' energy: -61.111
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -42.963
tors. eta vs tors. theta energy: -52.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -835.932730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.932730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.932730 (E_RNA)
where:
Base-Base interactions energy: -559.851
where: short stacking energy: -246.994
Base-Backbone interact. energy: -0.362
local terms energy: -275.719976
where:
bonds (distance) C4'-P energy: -56.777
bonds (distance) P-C4' energy: -59.002
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -38.926
tors. eta vs tors. theta energy: -61.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -782.346837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.346837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.346837 (E_RNA)
where:
Base-Base interactions energy: -533.274
where: short stacking energy: -226.014
Base-Backbone interact. energy: -0.960
local terms energy: -248.112342
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -59.267
flat angles P-C4'-P energy: -38.069
tors. eta vs tors. theta energy: -50.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -598.685494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.685494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.685494 (E_RNA)
where:
Base-Base interactions energy: -372.903
where: short stacking energy: -179.854
Base-Backbone interact. energy: -1.287
local terms energy: -224.495384
where:
bonds (distance) C4'-P energy: -54.350
bonds (distance) P-C4' energy: -43.358
flat angles C4'-P-C4' energy: -64.526
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -35.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -546.743614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.743614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.743614 (E_RNA)
where:
Base-Base interactions energy: -362.507
where: short stacking energy: -161.340
Base-Backbone interact. energy: -0.316
local terms energy: -183.920974
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -345.458468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.458468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.458468 (E_RNA)
where:
Base-Base interactions energy: -154.241
where: short stacking energy: -98.793
Base-Backbone interact. energy: 0.175
local terms energy: -191.392891
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -57.891
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1096.584813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.584813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.584813 (E_RNA)
where:
Base-Base interactions energy: -764.733
where: short stacking energy: -338.809
Base-Backbone interact. energy: 0.906
local terms energy: -332.758635
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -62.791
flat angles C4'-P-C4' energy: -69.075
flat angles P-C4'-P energy: -43.407
tors. eta vs tors. theta energy: -95.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1071.895012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.895012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.895012 (E_RNA)
where:
Base-Base interactions energy: -753.252
where: short stacking energy: -313.881
Base-Backbone interact. energy: 1.200
local terms energy: -319.843115
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -72.033
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -85.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1029.180486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.180486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.180486 (E_RNA)
where:
Base-Base interactions energy: -714.163
where: short stacking energy: -278.715
Base-Backbone interact. energy: -1.774
local terms energy: -313.243727
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -59.567
flat angles C4'-P-C4' energy: -66.643
flat angles P-C4'-P energy: -45.741
tors. eta vs tors. theta energy: -83.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -970.293360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.293360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.293360 (E_RNA)
where:
Base-Base interactions energy: -656.809
where: short stacking energy: -294.552
Base-Backbone interact. energy: -0.275
local terms energy: -313.209771
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -90.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -860.727042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.727042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.727042 (E_RNA)
where:
Base-Base interactions energy: -571.744
where: short stacking energy: -245.436
Base-Backbone interact. energy: 0.643
local terms energy: -289.626047
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -66.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -862.001503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.001503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.001503 (E_RNA)
where:
Base-Base interactions energy: -592.904
where: short stacking energy: -257.323
Base-Backbone interact. energy: -0.055
local terms energy: -269.042325
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -62.373
flat angles C4'-P-C4' energy: -65.459
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -62.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -776.421122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.421122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.421122 (E_RNA)
where:
Base-Base interactions energy: -528.766
where: short stacking energy: -219.029
Base-Backbone interact. energy: 2.477
local terms energy: -250.132393
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -60.580
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -53.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -600.887772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.887772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.887772 (E_RNA)
where:
Base-Base interactions energy: -372.197
where: short stacking energy: -168.921
Base-Backbone interact. energy: -1.992
local terms energy: -226.698906
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -51.646
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -33.480
tors. eta vs tors. theta energy: -40.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -560.935143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.935143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.935143 (E_RNA)
where:
Base-Base interactions energy: -354.008
where: short stacking energy: -157.719
Base-Backbone interact. energy: -1.343
local terms energy: -205.584665
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -280.242655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.242655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.242655 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -88.822
Base-Backbone interact. energy: -0.920
local terms energy: -156.483597
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -42.140
flat angles C4'-P-C4' energy: -48.691
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1090.439408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.439408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.439408 (E_RNA)
where:
Base-Base interactions energy: -778.727
where: short stacking energy: -325.224
Base-Backbone interact. energy: 0.304
local terms energy: -312.016791
where:
bonds (distance) C4'-P energy: -67.163
bonds (distance) P-C4' energy: -51.421
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -86.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1050.309645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.309645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.309645 (E_RNA)
where:
Base-Base interactions energy: -728.078
where: short stacking energy: -318.856
Base-Backbone interact. energy: -1.852
local terms energy: -320.379901
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -66.510
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -91.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1013.812536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.812536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.812536 (E_RNA)
where:
Base-Base interactions energy: -694.364
where: short stacking energy: -288.639
Base-Backbone interact. energy: -0.953
local terms energy: -318.495507
where:
bonds (distance) C4'-P energy: -55.129
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -71.443
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -78.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -964.509563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.509563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.509563 (E_RNA)
where:
Base-Base interactions energy: -660.565
where: short stacking energy: -286.912
Base-Backbone interact. energy: -0.950
local terms energy: -302.994820
where:
bonds (distance) C4'-P energy: -55.426
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -65.257
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -81.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -860.687167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.687167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.687167 (E_RNA)
where:
Base-Base interactions energy: -604.749
where: short stacking energy: -255.396
Base-Backbone interact. energy: -0.623
local terms energy: -255.315881
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -65.417
flat angles C4'-P-C4' energy: -49.640
flat angles P-C4'-P energy: -30.388
tors. eta vs tors. theta energy: -50.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -865.204203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.204203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.204203 (E_RNA)
where:
Base-Base interactions energy: -600.936
where: short stacking energy: -239.088
Base-Backbone interact. energy: 1.015
local terms energy: -265.283262
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -52.534
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -59.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -804.422979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.422979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.422979 (E_RNA)
where:
Base-Base interactions energy: -570.346
where: short stacking energy: -234.011
Base-Backbone interact. energy: -2.795
local terms energy: -231.282020
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -58.230
flat angles C4'-P-C4' energy: -46.842
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -55.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -638.602193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.602193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.602193 (E_RNA)
where:
Base-Base interactions energy: -396.374
where: short stacking energy: -169.533
Base-Backbone interact. energy: -1.145
local terms energy: -241.083462
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: -39.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -504.870110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.870110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.870110 (E_RNA)
where:
Base-Base interactions energy: -296.287
where: short stacking energy: -135.014
Base-Backbone interact. energy: -2.377
local terms energy: -206.206014
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -53.152
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -266.681374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.681374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.681374 (E_RNA)
where:
Base-Base interactions energy: -92.145
where: short stacking energy: -63.613
Base-Backbone interact. energy: 1.928
local terms energy: -176.464293
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -33.166
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: 10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1096.857796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.857796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.857796 (E_RNA)
where:
Base-Base interactions energy: -780.533
where: short stacking energy: -316.483
Base-Backbone interact. energy: -1.472
local terms energy: -314.852643
where:
bonds (distance) C4'-P energy: -62.035
bonds (distance) P-C4' energy: -56.576
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -85.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1089.132408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.132408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.132408 (E_RNA)
where:
Base-Base interactions energy: -757.784
where: short stacking energy: -335.087
Base-Backbone interact. energy: -1.319
local terms energy: -330.029640
where:
bonds (distance) C4'-P energy: -60.263
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -44.500
tors. eta vs tors. theta energy: -94.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1014.768307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.768307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.768307 (E_RNA)
where:
Base-Base interactions energy: -712.165
where: short stacking energy: -296.443
Base-Backbone interact. energy: -0.788
local terms energy: -301.815767
where:
bonds (distance) C4'-P energy: -52.992
bonds (distance) P-C4' energy: -70.211
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -81.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -996.751307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.751307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.751307 (E_RNA)
where:
Base-Base interactions energy: -687.547
where: short stacking energy: -302.172
Base-Backbone interact. energy: -0.883
local terms energy: -308.321494
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -64.125
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -83.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -878.195077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.195077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.195077 (E_RNA)
where:
Base-Base interactions energy: -612.191
where: short stacking energy: -271.410
Base-Backbone interact. energy: 0.660
local terms energy: -266.664119
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: -64.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -902.110695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.110695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.110695 (E_RNA)
where:
Base-Base interactions energy: -621.836
where: short stacking energy: -248.844
Base-Backbone interact. energy: -1.446
local terms energy: -278.828866
where:
bonds (distance) C4'-P energy: -55.918
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -62.306
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -69.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -766.175618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.175618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.175618 (E_RNA)
where:
Base-Base interactions energy: -532.476
where: short stacking energy: -228.553
Base-Backbone interact. energy: 0.045
local terms energy: -233.744720
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -45.879
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -32.424
tors. eta vs tors. theta energy: -54.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -585.093541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.093541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.093541 (E_RNA)
where:
Base-Base interactions energy: -348.034
where: short stacking energy: -145.651
Base-Backbone interact. energy: 1.003
local terms energy: -238.062777
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -48.842
flat angles C4'-P-C4' energy: -51.785
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -34.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -594.828786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.828786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.828786 (E_RNA)
where:
Base-Base interactions energy: -380.670
where: short stacking energy: -167.069
Base-Backbone interact. energy: -1.830
local terms energy: -212.328055
where:
bonds (distance) C4'-P energy: -49.279
bonds (distance) P-C4' energy: -40.833
flat angles C4'-P-C4' energy: -55.139
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -27.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -271.732822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.732822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.732822 (E_RNA)
where:
Base-Base interactions energy: -109.188
where: short stacking energy: -82.458
Base-Backbone interact. energy: -0.464
local terms energy: -162.080651
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1096.383189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.383189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.383189 (E_RNA)
where:
Base-Base interactions energy: -766.625
where: short stacking energy: -313.414
Base-Backbone interact. energy: -2.650
local terms energy: -327.108400
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -63.604
flat angles P-C4'-P energy: -48.600
tors. eta vs tors. theta energy: -90.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1059.424574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.424574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.424574 (E_RNA)
where:
Base-Base interactions energy: -743.018
where: short stacking energy: -331.355
Base-Backbone interact. energy: -1.447
local terms energy: -314.959717
where:
bonds (distance) C4'-P energy: -59.226
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -89.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1014.863043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.863043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.863043 (E_RNA)
where:
Base-Base interactions energy: -706.173
where: short stacking energy: -311.645
Base-Backbone interact. energy: -0.936
local terms energy: -307.754156
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -53.119
flat angles C4'-P-C4' energy: -69.953
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -88.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -973.314993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.314993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.314993 (E_RNA)
where:
Base-Base interactions energy: -676.961
where: short stacking energy: -293.072
Base-Backbone interact. energy: -0.478
local terms energy: -295.875403
where:
bonds (distance) C4'-P energy: -57.063
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -78.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -941.748904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.748904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.748904 (E_RNA)
where:
Base-Base interactions energy: -651.215
where: short stacking energy: -266.793
Base-Backbone interact. energy: -0.656
local terms energy: -289.877426
where:
bonds (distance) C4'-P energy: -53.413
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -67.794
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -72.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -840.724040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.724040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.724040 (E_RNA)
where:
Base-Base interactions energy: -574.073
where: short stacking energy: -241.865
Base-Backbone interact. energy: -1.464
local terms energy: -265.186666
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -60.789
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -63.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -798.131317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.131317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.131317 (E_RNA)
where:
Base-Base interactions energy: -533.153
where: short stacking energy: -237.198
Base-Backbone interact. energy: -0.359
local terms energy: -264.619139
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -61.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -564.380990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.380990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.380990 (E_RNA)
where:
Base-Base interactions energy: -344.932
where: short stacking energy: -165.575
Base-Backbone interact. energy: 3.153
local terms energy: -222.601977
where:
bonds (distance) C4'-P energy: -58.189
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -52.906
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -621.678053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.678053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.678053 (E_RNA)
where:
Base-Base interactions energy: -390.246
where: short stacking energy: -174.566
Base-Backbone interact. energy: -1.931
local terms energy: -229.501039
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -47.175
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -32.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -301.791294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.791294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.791294 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -99.382
Base-Backbone interact. energy: -1.082
local terms energy: -168.153092
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -41.495
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1097.238265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.238265 (E_RNA)
where:
Base-Base interactions energy: -766.611
where: short stacking energy: -313.838
Base-Backbone interact. energy: -1.260
local terms energy: -329.366724
where:
bonds (distance) C4'-P energy: -64.820
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -61.979
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -89.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1049.038967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.038967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.038967 (E_RNA)
where:
Base-Base interactions energy: -737.933
where: short stacking energy: -316.106
Base-Backbone interact. energy: -0.397
local terms energy: -310.709115
where:
bonds (distance) C4'-P energy: -55.766
bonds (distance) P-C4' energy: -62.592
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -85.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1022.207740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.207740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.207740 (E_RNA)
where:
Base-Base interactions energy: -711.816
where: short stacking energy: -300.169
Base-Backbone interact. energy: -0.746
local terms energy: -309.645597
where:
bonds (distance) C4'-P energy: -57.565
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -63.702
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -81.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -979.412335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.412335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.412335 (E_RNA)
where:
Base-Base interactions energy: -681.464
where: short stacking energy: -296.723
Base-Backbone interact. energy: -0.303
local terms energy: -297.645029
where:
bonds (distance) C4'-P energy: -66.434
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -62.574
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -80.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -916.668772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.668772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.668772 (E_RNA)
where:
Base-Base interactions energy: -637.575
where: short stacking energy: -269.941
Base-Backbone interact. energy: -1.333
local terms energy: -277.761243
where:
bonds (distance) C4'-P energy: -52.781
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -65.103
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -74.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -809.380460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.380460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.380460 (E_RNA)
where:
Base-Base interactions energy: -544.003
where: short stacking energy: -234.688
Base-Backbone interact. energy: -0.958
local terms energy: -264.419721
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -59.081
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: -52.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -799.794691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.794691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.794691 (E_RNA)
where:
Base-Base interactions energy: -535.681
where: short stacking energy: -243.340
Base-Backbone interact. energy: -0.227
local terms energy: -263.887386
where:
bonds (distance) C4'-P energy: -46.491
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -59.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -638.348741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.348741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.348741 (E_RNA)
where:
Base-Base interactions energy: -434.275
where: short stacking energy: -186.342
Base-Backbone interact. energy: -1.852
local terms energy: -202.221942
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -61.935
flat angles C4'-P-C4' energy: -56.033
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -23.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -544.189124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.189124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.189124 (E_RNA)
where:
Base-Base interactions energy: -343.051
where: short stacking energy: -156.862
Base-Backbone interact. energy: -2.190
local terms energy: -198.948362
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -57.186
flat angles P-C4'-P energy: -35.145
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -267.391843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.391843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.391843 (E_RNA)
where:
Base-Base interactions energy: -87.274
where: short stacking energy: -77.098
Base-Backbone interact. energy: 1.552
local terms energy: -181.669955
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -57.317
flat angles C4'-P-C4' energy: -55.485
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: 1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1089.268861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.268861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.268861 (E_RNA)
where:
Base-Base interactions energy: -770.639
where: short stacking energy: -320.595
Base-Backbone interact. energy: 1.124
local terms energy: -319.753445
where:
bonds (distance) C4'-P energy: -66.630
bonds (distance) P-C4' energy: -48.792
flat angles C4'-P-C4' energy: -72.165
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -85.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1076.077690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.077690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.077690 (E_RNA)
where:
Base-Base interactions energy: -744.041
where: short stacking energy: -321.899
Base-Backbone interact. energy: -1.206
local terms energy: -330.830372
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -66.852
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -93.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -991.212519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.212519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.212519 (E_RNA)
where:
Base-Base interactions energy: -670.568
where: short stacking energy: -288.412
Base-Backbone interact. energy: -0.422
local terms energy: -320.222605
where:
bonds (distance) C4'-P energy: -51.755
bonds (distance) P-C4' energy: -64.640
flat angles C4'-P-C4' energy: -71.569
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -81.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1005.633265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.633265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.633265 (E_RNA)
where:
Base-Base interactions energy: -702.593
where: short stacking energy: -281.288
Base-Backbone interact. energy: 0.708
local terms energy: -303.747879
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -63.975
flat angles P-C4'-P energy: -45.018
tors. eta vs tors. theta energy: -85.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -913.200642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.200642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.200642 (E_RNA)
where:
Base-Base interactions energy: -638.636
where: short stacking energy: -271.445
Base-Backbone interact. energy: -0.864
local terms energy: -273.700449
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -66.077
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -64.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -772.156780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.156780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.156780 (E_RNA)
where:
Base-Base interactions energy: -530.809
where: short stacking energy: -225.650
Base-Backbone interact. energy: 2.545
local terms energy: -243.892629
where:
bonds (distance) C4'-P energy: -46.860
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -62.377
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -47.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -778.327368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.327368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.327368 (E_RNA)
where:
Base-Base interactions energy: -521.759
where: short stacking energy: -228.955
Base-Backbone interact. energy: -1.752
local terms energy: -254.815959
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -53.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -635.332991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.332991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.332991 (E_RNA)
where:
Base-Base interactions energy: -393.902
where: short stacking energy: -194.266
Base-Backbone interact. energy: 2.308
local terms energy: -243.739083
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -60.210
flat angles C4'-P-C4' energy: -54.275
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -36.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -500.813208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.813208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.813208 (E_RNA)
where:
Base-Base interactions energy: -301.038
where: short stacking energy: -160.615
Base-Backbone interact. energy: 0.210
local terms energy: -199.985380
where:
bonds (distance) C4'-P energy: -43.387
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -27.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -263.341212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.341212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.341212 (E_RNA)
where:
Base-Base interactions energy: -86.756
where: short stacking energy: -75.259
Base-Backbone interact. energy: -0.831
local terms energy: -175.753768
where:
bonds (distance) C4'-P energy: -46.784
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -52.752
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1089.992174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.992174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.992174 (E_RNA)
where:
Base-Base interactions energy: -765.083
where: short stacking energy: -315.412
Base-Backbone interact. energy: -0.098
local terms energy: -324.810750
where:
bonds (distance) C4'-P energy: -61.365
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -70.319
flat angles P-C4'-P energy: -51.760
tors. eta vs tors. theta energy: -83.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1079.102304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.102304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.102304 (E_RNA)
where:
Base-Base interactions energy: -753.472
where: short stacking energy: -333.787
Base-Backbone interact. energy: -1.527
local terms energy: -324.103556
where:
bonds (distance) C4'-P energy: -61.216
bonds (distance) P-C4' energy: -66.637
flat angles C4'-P-C4' energy: -71.369
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -87.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1002.670957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.670957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.670957 (E_RNA)
where:
Base-Base interactions energy: -670.582
where: short stacking energy: -297.397
Base-Backbone interact. energy: -0.031
local terms energy: -332.057570
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -95.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -926.251092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.251092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.251092 (E_RNA)
where:
Base-Base interactions energy: -632.090
where: short stacking energy: -267.560
Base-Backbone interact. energy: -0.008
local terms energy: -294.153179
where:
bonds (distance) C4'-P energy: -53.979
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -60.333
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -79.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -952.346623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.346623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.346623 (E_RNA)
where:
Base-Base interactions energy: -665.869
where: short stacking energy: -295.902
Base-Backbone interact. energy: -1.663
local terms energy: -284.814631
where:
bonds (distance) C4'-P energy: -59.229
bonds (distance) P-C4' energy: -51.656
flat angles C4'-P-C4' energy: -60.621
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -87.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -830.181081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.181081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.181081 (E_RNA)
where:
Base-Base interactions energy: -575.935
where: short stacking energy: -237.344
Base-Backbone interact. energy: -0.960
local terms energy: -253.285965
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -48.671
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -60.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -800.113711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.113711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.113711 (E_RNA)
where:
Base-Base interactions energy: -527.893
where: short stacking energy: -244.023
Base-Backbone interact. energy: -0.740
local terms energy: -271.480069
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -55.896
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -61.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -642.328757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.328757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.328757 (E_RNA)
where:
Base-Base interactions energy: -393.097
where: short stacking energy: -190.415
Base-Backbone interact. energy: -1.827
local terms energy: -247.404408
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -55.823
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -500.778842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.778842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.778842 (E_RNA)
where:
Base-Base interactions energy: -306.252
where: short stacking energy: -153.817
Base-Backbone interact. energy: -1.271
local terms energy: -193.256190
where:
bonds (distance) C4'-P energy: -61.105
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -41.753
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -287.711369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.711369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.711369 (E_RNA)
where:
Base-Base interactions energy: -112.570
where: short stacking energy: -106.158
Base-Backbone interact. energy: -1.218
local terms energy: -173.923470
where:
bonds (distance) C4'-P energy: -50.887
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1086.122289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.122289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.122289 (E_RNA)
where:
Base-Base interactions energy: -748.249
where: short stacking energy: -308.282
Base-Backbone interact. energy: -3.035
local terms energy: -334.838300
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -66.718
flat angles C4'-P-C4' energy: -70.893
flat angles P-C4'-P energy: -47.285
tors. eta vs tors. theta energy: -86.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1089.991801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.991801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.991801 (E_RNA)
where:
Base-Base interactions energy: -768.290
where: short stacking energy: -353.533
Base-Backbone interact. energy: -2.216
local terms energy: -319.486374
where:
bonds (distance) C4'-P energy: -53.962
bonds (distance) P-C4' energy: -65.018
flat angles C4'-P-C4' energy: -68.740
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -94.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1005.790632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.790632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.790632 (E_RNA)
where:
Base-Base interactions energy: -692.598
where: short stacking energy: -319.614
Base-Backbone interact. energy: -1.123
local terms energy: -312.070146
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -96.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -929.946692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.946692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.946692 (E_RNA)
where:
Base-Base interactions energy: -649.930
where: short stacking energy: -280.074
Base-Backbone interact. energy: -1.824
local terms energy: -278.193020
where:
bonds (distance) C4'-P energy: -43.675
bonds (distance) P-C4' energy: -59.937
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -80.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -928.229388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.229388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.229388 (E_RNA)
where:
Base-Base interactions energy: -646.908
where: short stacking energy: -280.127
Base-Backbone interact. energy: -1.197
local terms energy: -280.124549
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -49.303
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -34.037
tors. eta vs tors. theta energy: -81.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -839.359743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.359743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.359743 (E_RNA)
where:
Base-Base interactions energy: -566.656
where: short stacking energy: -263.677
Base-Backbone interact. energy: -0.959
local terms energy: -271.745270
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -65.268
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -42.583
tors. eta vs tors. theta energy: -61.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -765.055844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.055844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.055844 (E_RNA)
where:
Base-Base interactions energy: -507.713
where: short stacking energy: -210.956
Base-Backbone interact. energy: -1.694
local terms energy: -255.648937
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -54.384
flat angles C4'-P-C4' energy: -59.385
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -53.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -624.887735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.887735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.887735 (E_RNA)
where:
Base-Base interactions energy: -415.047
where: short stacking energy: -178.459
Base-Backbone interact. energy: -2.875
local terms energy: -206.966134
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -26.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -498.511653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.511653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.511653 (E_RNA)
where:
Base-Base interactions energy: -302.960
where: short stacking energy: -143.383
Base-Backbone interact. energy: -0.490
local terms energy: -195.061179
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -35.049
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -249.006065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.006065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.006065 (E_RNA)
where:
Base-Base interactions energy: -86.967
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.635
local terms energy: -161.404355
where:
bonds (distance) C4'-P energy: -50.722
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: 5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1082.884173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.884173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.884173 (E_RNA)
where:
Base-Base interactions energy: -770.678
where: short stacking energy: -325.793
Base-Backbone interact. energy: 4.031
local terms energy: -316.236639
where:
bonds (distance) C4'-P energy: -64.990
bonds (distance) P-C4' energy: -57.863
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -85.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1071.778623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.778623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.778623 (E_RNA)
where:
Base-Base interactions energy: -743.047
where: short stacking energy: -328.075
Base-Backbone interact. energy: -0.856
local terms energy: -327.875917
where:
bonds (distance) C4'-P energy: -62.973
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -68.325
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -91.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1001.653213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.653213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.653213 (E_RNA)
where:
Base-Base interactions energy: -676.707
where: short stacking energy: -306.247
Base-Backbone interact. energy: 1.319
local terms energy: -326.265824
where:
bonds (distance) C4'-P energy: -48.312
bonds (distance) P-C4' energy: -66.614
flat angles C4'-P-C4' energy: -69.419
flat angles P-C4'-P energy: -53.499
tors. eta vs tors. theta energy: -88.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -956.069719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.069719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.069719 (E_RNA)
where:
Base-Base interactions energy: -657.337
where: short stacking energy: -279.145
Base-Backbone interact. energy: -1.098
local terms energy: -297.635164
where:
bonds (distance) C4'-P energy: -53.266
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -43.604
tors. eta vs tors. theta energy: -84.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -931.113531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.113531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.113531 (E_RNA)
where:
Base-Base interactions energy: -636.892
where: short stacking energy: -282.281
Base-Backbone interact. energy: -1.840
local terms energy: -292.381521
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -50.757
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -80.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -840.690144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.690144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.690144 (E_RNA)
where:
Base-Base interactions energy: -556.315
where: short stacking energy: -244.273
Base-Backbone interact. energy: -0.479
local terms energy: -283.896564
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -69.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -759.994647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.994647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.994647 (E_RNA)
where:
Base-Base interactions energy: -498.783
where: short stacking energy: -219.222
Base-Backbone interact. energy: -0.923
local terms energy: -260.288736
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -50.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -692.827855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.827855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.827855 (E_RNA)
where:
Base-Base interactions energy: -453.286
where: short stacking energy: -203.088
Base-Backbone interact. energy: 1.440
local terms energy: -240.982191
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -54.444
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -44.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -561.864050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.864050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.864050 (E_RNA)
where:
Base-Base interactions energy: -339.231
where: short stacking energy: -177.791
Base-Backbone interact. energy: -1.812
local terms energy: -220.821391
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -38.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -264.875604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.875604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.875604 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -101.719
Base-Backbone interact. energy: -0.780
local terms energy: -144.426116
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -51.019
flat angles C4'-P-C4' energy: -40.815
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1096.901857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.901857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.901857 (E_RNA)
where:
Base-Base interactions energy: -767.393
where: short stacking energy: -313.554
Base-Backbone interact. energy: -1.358
local terms energy: -328.151766
where:
bonds (distance) C4'-P energy: -60.912
bonds (distance) P-C4' energy: -54.472
flat angles C4'-P-C4' energy: -69.001
flat angles P-C4'-P energy: -50.256
tors. eta vs tors. theta energy: -93.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1067.443688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.443688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.443688 (E_RNA)
where:
Base-Base interactions energy: -739.106
where: short stacking energy: -326.845
Base-Backbone interact. energy: 0.956
local terms energy: -329.293795
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -62.671
flat angles C4'-P-C4' energy: -70.092
flat angles P-C4'-P energy: -48.365
tors. eta vs tors. theta energy: -93.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1013.697482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.697482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.697482 (E_RNA)
where:
Base-Base interactions energy: -704.235
where: short stacking energy: -294.062
Base-Backbone interact. energy: -1.249
local terms energy: -308.213394
where:
bonds (distance) C4'-P energy: -52.777
bonds (distance) P-C4' energy: -56.105
flat angles C4'-P-C4' energy: -70.681
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -84.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -977.982495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.982495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.982495 (E_RNA)
where:
Base-Base interactions energy: -682.760
where: short stacking energy: -302.007
Base-Backbone interact. energy: -1.260
local terms energy: -293.961961
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -64.418
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -920.531744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.531744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.531744 (E_RNA)
where:
Base-Base interactions energy: -636.477
where: short stacking energy: -286.160
Base-Backbone interact. energy: -2.078
local terms energy: -281.977365
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -52.772
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -80.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -798.730573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.730573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.730573 (E_RNA)
where:
Base-Base interactions energy: -539.340
where: short stacking energy: -236.294
Base-Backbone interact. energy: -1.341
local terms energy: -258.050225
where:
bonds (distance) C4'-P energy: -50.180
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -57.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -727.061192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.061192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.061192 (E_RNA)
where:
Base-Base interactions energy: -469.740
where: short stacking energy: -213.274
Base-Backbone interact. energy: -1.302
local terms energy: -256.019508
where:
bonds (distance) C4'-P energy: -54.775
bonds (distance) P-C4' energy: -58.907
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -57.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -673.492380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.492380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.492380 (E_RNA)
where:
Base-Base interactions energy: -417.100
where: short stacking energy: -185.600
Base-Backbone interact. energy: -0.444
local terms energy: -255.949037
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -67.044
flat angles C4'-P-C4' energy: -58.731
flat angles P-C4'-P energy: -31.765
tors. eta vs tors. theta energy: -39.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -541.934836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.934836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.934836 (E_RNA)
where:
Base-Base interactions energy: -313.462
where: short stacking energy: -152.112
Base-Backbone interact. energy: 1.374
local terms energy: -229.846314
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -61.124
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -316.427612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.427612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.427612 (E_RNA)
where:
Base-Base interactions energy: -157.887
where: short stacking energy: -105.656
Base-Backbone interact. energy: -1.262
local terms energy: -157.278904
where:
bonds (distance) C4'-P energy: -42.908
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1097.450808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.450808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.450808 (E_RNA)
where:
Base-Base interactions energy: -768.382
where: short stacking energy: -326.456
Base-Backbone interact. energy: -1.087
local terms energy: -327.981250
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -66.858
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: -88.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1055.419475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.419475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.419475 (E_RNA)
where:
Base-Base interactions energy: -748.606
where: short stacking energy: -325.574
Base-Backbone interact. energy: -0.386
local terms energy: -306.427552
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -67.782
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -87.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1007.700627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.700627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.700627 (E_RNA)
where:
Base-Base interactions energy: -699.279
where: short stacking energy: -281.086
Base-Backbone interact. energy: -2.167
local terms energy: -306.255086
where:
bonds (distance) C4'-P energy: -57.996
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -81.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -995.952541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.952541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.952541 (E_RNA)
where:
Base-Base interactions energy: -675.936
where: short stacking energy: -290.489
Base-Backbone interact. energy: -0.080
local terms energy: -319.936289
where:
bonds (distance) C4'-P energy: -57.929
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -70.054
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -85.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -926.663834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.663834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.663834 (E_RNA)
where:
Base-Base interactions energy: -629.340
where: short stacking energy: -297.406
Base-Backbone interact. energy: 0.113
local terms energy: -297.437723
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -64.270
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -85.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -797.902590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.902590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.902590 (E_RNA)
where:
Base-Base interactions energy: -523.643
where: short stacking energy: -236.561
Base-Backbone interact. energy: -1.019
local terms energy: -273.240840
where:
bonds (distance) C4'-P energy: -52.563
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -58.399
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -66.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -732.429102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.429102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.429102 (E_RNA)
where:
Base-Base interactions energy: -485.184
where: short stacking energy: -209.920
Base-Backbone interact. energy: 0.483
local terms energy: -247.728582
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -56.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -671.217471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.217471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.217471 (E_RNA)
where:
Base-Base interactions energy: -431.000
where: short stacking energy: -189.628
Base-Backbone interact. energy: -1.619
local terms energy: -238.597902
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -38.767
tors. eta vs tors. theta energy: -46.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -603.888821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.888821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.888821 (E_RNA)
where:
Base-Base interactions energy: -378.026
where: short stacking energy: -173.788
Base-Backbone interact. energy: -1.741
local terms energy: -224.121573
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -43.697
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -34.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -382.503093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.503093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.503093 (E_RNA)
where:
Base-Base interactions energy: -197.707
where: short stacking energy: -119.387
Base-Backbone interact. energy: 0.279
local terms energy: -185.075854
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -56.245
flat angles C4'-P-C4' energy: -45.874
flat angles P-C4'-P energy: -29.078
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1112.422423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.422423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.422423 (E_RNA)
where:
Base-Base interactions energy: -792.710
where: short stacking energy: -321.057
Base-Backbone interact. energy: 1.614
local terms energy: -321.326083
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -64.808
flat angles C4'-P-C4' energy: -71.486
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -81.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1070.153965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.153965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.153965 (E_RNA)
where:
Base-Base interactions energy: -747.880
where: short stacking energy: -338.720
Base-Backbone interact. energy: -0.420
local terms energy: -321.853972
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -74.939
flat angles P-C4'-P energy: -32.367
tors. eta vs tors. theta energy: -88.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -998.861899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.861899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.861899 (E_RNA)
where:
Base-Base interactions energy: -676.172
where: short stacking energy: -303.960
Base-Backbone interact. energy: -0.791
local terms energy: -321.898758
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -65.368
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: -83.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -964.800444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.800444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.800444 (E_RNA)
where:
Base-Base interactions energy: -657.463
where: short stacking energy: -265.863
Base-Backbone interact. energy: -1.585
local terms energy: -305.752446
where:
bonds (distance) C4'-P energy: -58.715
bonds (distance) P-C4' energy: -62.006
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -937.640849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.640849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.640849 (E_RNA)
where:
Base-Base interactions energy: -634.537
where: short stacking energy: -270.511
Base-Backbone interact. energy: -0.837
local terms energy: -302.266570
where:
bonds (distance) C4'-P energy: -60.628
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -79.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -803.574700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.574700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.574700 (E_RNA)
where:
Base-Base interactions energy: -566.109
where: short stacking energy: -239.219
Base-Backbone interact. energy: -1.428
local terms energy: -236.037854
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -52.000
flat angles C4'-P-C4' energy: -51.063
flat angles P-C4'-P energy: -32.766
tors. eta vs tors. theta energy: -62.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -747.122754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.122754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.122754 (E_RNA)
where:
Base-Base interactions energy: -490.846
where: short stacking energy: -213.462
Base-Backbone interact. energy: -1.148
local terms energy: -255.129223
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -54.853
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -58.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -631.004850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.004850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.004850 (E_RNA)
where:
Base-Base interactions energy: -407.625
where: short stacking energy: -186.785
Base-Backbone interact. energy: -0.566
local terms energy: -222.814537
where:
bonds (distance) C4'-P energy: -49.769
bonds (distance) P-C4' energy: -54.609
flat angles C4'-P-C4' energy: -44.364
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -38.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -529.938479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.938479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.938479 (E_RNA)
where:
Base-Base interactions energy: -309.715
where: short stacking energy: -140.252
Base-Backbone interact. energy: -1.695
local terms energy: -218.527757
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -51.314
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -442.963800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.963800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.963800 (E_RNA)
where:
Base-Base interactions energy: -274.092
where: short stacking energy: -116.357
Base-Backbone interact. energy: 0.035
local terms energy: -168.907340
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -41.033
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1114.838450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.838450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.838450 (E_RNA)
where:
Base-Base interactions energy: -784.049
where: short stacking energy: -317.580
Base-Backbone interact. energy: -0.711
local terms energy: -330.077989
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -70.991
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -94.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1067.982250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.982250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.982250 (E_RNA)
where:
Base-Base interactions energy: -739.482
where: short stacking energy: -327.982
Base-Backbone interact. energy: -2.167
local terms energy: -326.333247
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -89.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -996.536295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.536295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.536295 (E_RNA)
where:
Base-Base interactions energy: -682.620
where: short stacking energy: -297.259
Base-Backbone interact. energy: -1.066
local terms energy: -312.850313
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -54.880
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -48.623
tors. eta vs tors. theta energy: -85.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -953.751896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.751896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.751896 (E_RNA)
where:
Base-Base interactions energy: -651.259
where: short stacking energy: -282.134
Base-Backbone interact. energy: -1.847
local terms energy: -300.646054
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -78.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -911.025705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.025705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.025705 (E_RNA)
where:
Base-Base interactions energy: -624.754
where: short stacking energy: -277.691
Base-Backbone interact. energy: 1.596
local terms energy: -287.867525
where:
bonds (distance) C4'-P energy: -47.855
bonds (distance) P-C4' energy: -58.977
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -79.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -786.252472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.252472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.252472 (E_RNA)
where:
Base-Base interactions energy: -516.752
where: short stacking energy: -242.085
Base-Backbone interact. energy: -0.582
local terms energy: -268.918606
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -65.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -754.454695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.454695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.454695 (E_RNA)
where:
Base-Base interactions energy: -501.664
where: short stacking energy: -230.695
Base-Backbone interact. energy: -1.106
local terms energy: -251.684812
where:
bonds (distance) C4'-P energy: -46.298
bonds (distance) P-C4' energy: -60.285
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -57.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -633.502741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.502741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.502741 (E_RNA)
where:
Base-Base interactions energy: -387.305
where: short stacking energy: -186.181
Base-Backbone interact. energy: -2.395
local terms energy: -243.802780
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -58.612
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -500.948968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.948968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.948968 (E_RNA)
where:
Base-Base interactions energy: -294.563
where: short stacking energy: -129.148
Base-Backbone interact. energy: -2.007
local terms energy: -204.378598
where:
bonds (distance) C4'-P energy: -48.987
bonds (distance) P-C4' energy: -49.943
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -454.892136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.892136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.892136 (E_RNA)
where:
Base-Base interactions energy: -259.681
where: short stacking energy: -121.375
Base-Backbone interact. energy: 1.237
local terms energy: -196.447967
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -44.429
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1122.945163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.945163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.945163 (E_RNA)
where:
Base-Base interactions energy: -784.848
where: short stacking energy: -324.687
Base-Backbone interact. energy: -1.160
local terms energy: -336.937037
where:
bonds (distance) C4'-P energy: -66.295
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -70.068
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -97.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1067.858882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.858882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.858882 (E_RNA)
where:
Base-Base interactions energy: -738.365
where: short stacking energy: -318.959
Base-Backbone interact. energy: -1.601
local terms energy: -327.893322
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -69.465
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -88.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1021.678914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.678914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.678914 (E_RNA)
where:
Base-Base interactions energy: -696.852
where: short stacking energy: -306.682
Base-Backbone interact. energy: -0.781
local terms energy: -324.045205
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -61.660
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -89.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -982.307145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.307145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.307145 (E_RNA)
where:
Base-Base interactions energy: -672.473
where: short stacking energy: -298.684
Base-Backbone interact. energy: 0.250
local terms energy: -310.083448
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -70.122
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -83.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -927.284424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.284424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.284424 (E_RNA)
where:
Base-Base interactions energy: -631.214
where: short stacking energy: -272.889
Base-Backbone interact. energy: -0.819
local terms energy: -295.251203
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -60.003
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -77.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -794.187237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.187237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.187237 (E_RNA)
where:
Base-Base interactions energy: -540.578
where: short stacking energy: -257.955
Base-Backbone interact. energy: -0.436
local terms energy: -253.174067
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -52.738
flat angles P-C4'-P energy: -32.085
tors. eta vs tors. theta energy: -61.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -775.736205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.736205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.736205 (E_RNA)
where:
Base-Base interactions energy: -526.811
where: short stacking energy: -222.005
Base-Backbone interact. energy: 0.459
local terms energy: -249.383454
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -48.267
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -58.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -629.104681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.104681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.104681 (E_RNA)
where:
Base-Base interactions energy: -378.914
where: short stacking energy: -181.327
Base-Backbone interact. energy: -1.900
local terms energy: -248.290488
where:
bonds (distance) C4'-P energy: -57.779
bonds (distance) P-C4' energy: -55.044
flat angles C4'-P-C4' energy: -62.399
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -33.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -474.731005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.731005 (E_RNA)
where:
Base-Base interactions energy: -284.535
where: short stacking energy: -127.055
Base-Backbone interact. energy: -0.969
local terms energy: -189.227162
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -52.480
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -470.107038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.107038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.107038 (E_RNA)
where:
Base-Base interactions energy: -263.756
where: short stacking energy: -125.382
Base-Backbone interact. energy: -0.323
local terms energy: -206.027930
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -50.571
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1124.227540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.227540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.227540 (E_RNA)
where:
Base-Base interactions energy: -801.729
where: short stacking energy: -321.714
Base-Backbone interact. energy: -0.355
local terms energy: -322.143271
where:
bonds (distance) C4'-P energy: -62.438
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -96.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1075.733247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.733247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.733247 (E_RNA)
where:
Base-Base interactions energy: -756.012
where: short stacking energy: -338.073
Base-Backbone interact. energy: 0.235
local terms energy: -319.956643
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -68.549
flat angles P-C4'-P energy: -51.823
tors. eta vs tors. theta energy: -90.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1022.147085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.147085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.147085 (E_RNA)
where:
Base-Base interactions energy: -694.941
where: short stacking energy: -313.619
Base-Backbone interact. energy: -0.654
local terms energy: -326.552372
where:
bonds (distance) C4'-P energy: -57.650
bonds (distance) P-C4' energy: -62.513
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -50.161
tors. eta vs tors. theta energy: -90.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -972.227848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.227848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.227848 (E_RNA)
where:
Base-Base interactions energy: -674.396
where: short stacking energy: -288.656
Base-Backbone interact. energy: -0.593
local terms energy: -297.238958
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -59.195
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -46.188
tors. eta vs tors. theta energy: -87.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -922.511648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.511648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.511648 (E_RNA)
where:
Base-Base interactions energy: -633.394
where: short stacking energy: -282.297
Base-Backbone interact. energy: -2.453
local terms energy: -286.664087
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -36.480
tors. eta vs tors. theta energy: -75.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -806.130088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.130088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.130088 (E_RNA)
where:
Base-Base interactions energy: -510.564
where: short stacking energy: -233.307
Base-Backbone interact. energy: -1.797
local terms energy: -293.769972
where:
bonds (distance) C4'-P energy: -59.678
bonds (distance) P-C4' energy: -63.522
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -68.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -769.416208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.416208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.416208 (E_RNA)
where:
Base-Base interactions energy: -513.129
where: short stacking energy: -224.029
Base-Backbone interact. energy: -0.174
local terms energy: -256.113311
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -57.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -632.912689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.912689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.912689 (E_RNA)
where:
Base-Base interactions energy: -403.920
where: short stacking energy: -186.889
Base-Backbone interact. energy: -1.765
local terms energy: -227.228186
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -53.217
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -36.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -511.115289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.115289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.115289 (E_RNA)
where:
Base-Base interactions energy: -318.392
where: short stacking energy: -158.194
Base-Backbone interact. energy: 1.578
local terms energy: -194.301214
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -524.810466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.810466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.810466 (E_RNA)
where:
Base-Base interactions energy: -342.748
where: short stacking energy: -177.330
Base-Backbone interact. energy: -0.812
local terms energy: -181.250027
where:
bonds (distance) C4'-P energy: -26.849
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -56.440
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1098.758597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.758597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.758597 (E_RNA)
where:
Base-Base interactions energy: -788.974
where: short stacking energy: -322.908
Base-Backbone interact. energy: -0.388
local terms energy: -309.396413
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -69.348
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -92.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1054.183592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.183592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.183592 (E_RNA)
where:
Base-Base interactions energy: -749.968
where: short stacking energy: -317.477
Base-Backbone interact. energy: 1.406
local terms energy: -305.621952
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -64.987
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -83.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1013.648135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.648135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.648135 (E_RNA)
where:
Base-Base interactions energy: -704.994
where: short stacking energy: -310.477
Base-Backbone interact. energy: -0.320
local terms energy: -308.334116
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -67.866
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -87.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -957.888442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.888442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.888442 (E_RNA)
where:
Base-Base interactions energy: -645.432
where: short stacking energy: -284.357
Base-Backbone interact. energy: 4.825
local terms energy: -317.281246
where:
bonds (distance) C4'-P energy: -59.745
bonds (distance) P-C4' energy: -73.515
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -38.181
tors. eta vs tors. theta energy: -79.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -945.398582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.398582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.398582 (E_RNA)
where:
Base-Base interactions energy: -656.360
where: short stacking energy: -269.311
Base-Backbone interact. energy: -1.158
local terms energy: -287.880192
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -70.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -807.430428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.430428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.430428 (E_RNA)
where:
Base-Base interactions energy: -531.648
where: short stacking energy: -249.632
Base-Backbone interact. energy: -0.564
local terms energy: -275.218705
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -54.626
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -61.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -768.645405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.645405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.645405 (E_RNA)
where:
Base-Base interactions energy: -504.280
where: short stacking energy: -227.423
Base-Backbone interact. energy: -2.363
local terms energy: -262.001669
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -63.329
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -59.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -590.684121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.684121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.684121 (E_RNA)
where:
Base-Base interactions energy: -368.703
where: short stacking energy: -179.788
Base-Backbone interact. energy: -1.948
local terms energy: -220.032942
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -61.820
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -29.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -555.343521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.343521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.343521 (E_RNA)
where:
Base-Base interactions energy: -361.309
where: short stacking energy: -163.436
Base-Backbone interact. energy: 0.694
local terms energy: -194.728282
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -469.940811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.940811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.940811 (E_RNA)
where:
Base-Base interactions energy: -285.312
where: short stacking energy: -142.937
Base-Backbone interact. energy: 2.210
local terms energy: -186.838520
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -52.102
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1091.178839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.178839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.178839 (E_RNA)
where:
Base-Base interactions energy: -765.702
where: short stacking energy: -318.430
Base-Backbone interact. energy: -1.820
local terms energy: -323.656942
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -65.683
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -46.919
tors. eta vs tors. theta energy: -84.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1053.963964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.963964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.963964 (E_RNA)
where:
Base-Base interactions energy: -733.005
where: short stacking energy: -323.085
Base-Backbone interact. energy: -0.958
local terms energy: -320.000114
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -60.347
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: -87.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1000.455458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.455458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.455458 (E_RNA)
where:
Base-Base interactions energy: -693.461
where: short stacking energy: -308.222
Base-Backbone interact. energy: -0.593
local terms energy: -306.401442
where:
bonds (distance) C4'-P energy: -52.683
bonds (distance) P-C4' energy: -61.805
flat angles C4'-P-C4' energy: -66.329
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -86.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -925.745465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.745465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.745465 (E_RNA)
where:
Base-Base interactions energy: -637.124
where: short stacking energy: -282.528
Base-Backbone interact. energy: 1.846
local terms energy: -290.467134
where:
bonds (distance) C4'-P energy: -52.937
bonds (distance) P-C4' energy: -65.824
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -915.171304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.171304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.171304 (E_RNA)
where:
Base-Base interactions energy: -611.710
where: short stacking energy: -276.998
Base-Backbone interact. energy: 3.181
local terms energy: -306.642253
where:
bonds (distance) C4'-P energy: -58.220
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -68.050
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -74.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -787.012425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.012425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.012425 (E_RNA)
where:
Base-Base interactions energy: -527.508
where: short stacking energy: -248.189
Base-Backbone interact. energy: -0.432
local terms energy: -259.072876
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -53.065
flat angles C4'-P-C4' energy: -52.388
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -66.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -745.398663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.398663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.398663 (E_RNA)
where:
Base-Base interactions energy: -498.328
where: short stacking energy: -232.375
Base-Backbone interact. energy: 0.043
local terms energy: -247.114212
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -56.378
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -59.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -670.927842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.927842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.927842 (E_RNA)
where:
Base-Base interactions energy: -441.902
where: short stacking energy: -187.408
Base-Backbone interact. energy: -0.920
local terms energy: -228.105857
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -31.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -591.901631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.901631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.901631 (E_RNA)
where:
Base-Base interactions energy: -363.225
where: short stacking energy: -181.826
Base-Backbone interact. energy: -0.268
local terms energy: -228.407927
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -412.593261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.593261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.593261 (E_RNA)
where:
Base-Base interactions energy: -227.093
where: short stacking energy: -118.337
Base-Backbone interact. energy: -0.901
local terms energy: -184.599074
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -46.628
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1095.805539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.805539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.805539 (E_RNA)
where:
Base-Base interactions energy: -779.735
where: short stacking energy: -321.833
Base-Backbone interact. energy: -0.648
local terms energy: -315.422220
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -59.883
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -82.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1071.306434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.306434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.306434 (E_RNA)
where:
Base-Base interactions energy: -757.271
where: short stacking energy: -321.378
Base-Backbone interact. energy: -1.164
local terms energy: -312.871673
where:
bonds (distance) C4'-P energy: -54.381
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -68.102
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -88.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1004.659113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.659113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.659113 (E_RNA)
where:
Base-Base interactions energy: -685.418
where: short stacking energy: -301.293
Base-Backbone interact. energy: -0.905
local terms energy: -318.335711
where:
bonds (distance) C4'-P energy: -60.752
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: -85.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -936.658869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.658869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.658869 (E_RNA)
where:
Base-Base interactions energy: -643.110
where: short stacking energy: -279.935
Base-Backbone interact. energy: 2.325
local terms energy: -295.872973
where:
bonds (distance) C4'-P energy: -52.343
bonds (distance) P-C4' energy: -59.612
flat angles C4'-P-C4' energy: -66.778
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -76.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -859.449802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.449802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.449802 (E_RNA)
where:
Base-Base interactions energy: -574.950
where: short stacking energy: -251.130
Base-Backbone interact. energy: 1.686
local terms energy: -286.186201
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -59.859
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -74.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -889.158684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.158684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.158684 (E_RNA)
where:
Base-Base interactions energy: -597.381
where: short stacking energy: -248.483
Base-Backbone interact. energy: -0.758
local terms energy: -291.019838
where:
bonds (distance) C4'-P energy: -59.933
bonds (distance) P-C4' energy: -59.054
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -64.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -744.923932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.923932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.923932 (E_RNA)
where:
Base-Base interactions energy: -486.014
where: short stacking energy: -219.347
Base-Backbone interact. energy: -1.803
local terms energy: -257.106763
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -56.944
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -54.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -650.361728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.361728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.361728 (E_RNA)
where:
Base-Base interactions energy: -418.316
where: short stacking energy: -184.057
Base-Backbone interact. energy: -1.942
local terms energy: -230.103530
where:
bonds (distance) C4'-P energy: -43.136
bonds (distance) P-C4' energy: -65.660
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -38.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -462.894385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.894385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.894385 (E_RNA)
where:
Base-Base interactions energy: -287.335
where: short stacking energy: -124.661
Base-Backbone interact. energy: 1.974
local terms energy: -177.533640
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -542.706344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.706344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.706344 (E_RNA)
where:
Base-Base interactions energy: -348.654
where: short stacking energy: -172.457
Base-Backbone interact. energy: -0.958
local terms energy: -193.094497
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -51.156
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1100.996969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.996969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.996969 (E_RNA)
where:
Base-Base interactions energy: -787.952
where: short stacking energy: -328.440
Base-Backbone interact. energy: -0.679
local terms energy: -312.366277
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -70.594
flat angles P-C4'-P energy: -42.916
tors. eta vs tors. theta energy: -83.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1071.225312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.225312 (E_RNA)
where:
Base-Base interactions energy: -744.558
where: short stacking energy: -334.516
Base-Backbone interact. energy: -0.043
local terms energy: -326.624089
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -90.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1018.374829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.374829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.374829 (E_RNA)
where:
Base-Base interactions energy: -718.669
where: short stacking energy: -321.855
Base-Backbone interact. energy: -1.078
local terms energy: -298.628017
where:
bonds (distance) C4'-P energy: -53.871
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -69.359
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -85.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -946.248469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.248469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.248469 (E_RNA)
where:
Base-Base interactions energy: -654.547
where: short stacking energy: -280.720
Base-Backbone interact. energy: -0.928
local terms energy: -290.773090
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -54.718
flat angles C4'-P-C4' energy: -61.204
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -77.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -864.099415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.099415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.099415 (E_RNA)
where:
Base-Base interactions energy: -589.028
where: short stacking energy: -282.326
Base-Backbone interact. energy: 0.160
local terms energy: -275.231300
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -57.546
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -867.997578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.997578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.997578 (E_RNA)
where:
Base-Base interactions energy: -590.270
where: short stacking energy: -263.090
Base-Backbone interact. energy: -1.912
local terms energy: -275.815461
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -58.704
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -68.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -766.012833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.012833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.012833 (E_RNA)
where:
Base-Base interactions energy: -504.142
where: short stacking energy: -242.704
Base-Backbone interact. energy: -1.151
local terms energy: -260.720184
where:
bonds (distance) C4'-P energy: -50.859
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -680.580005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.580005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.580005 (E_RNA)
where:
Base-Base interactions energy: -428.939
where: short stacking energy: -195.313
Base-Backbone interact. energy: -1.815
local terms energy: -249.826275
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -60.253
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -491.841114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.841114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.841114 (E_RNA)
where:
Base-Base interactions energy: -289.139
where: short stacking energy: -149.478
Base-Backbone interact. energy: 1.139
local terms energy: -203.841128
where:
bonds (distance) C4'-P energy: -40.453
bonds (distance) P-C4' energy: -45.732
flat angles C4'-P-C4' energy: -50.452
flat angles P-C4'-P energy: -45.467
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -585.909732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.909732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.909732 (E_RNA)
where:
Base-Base interactions energy: -360.719
where: short stacking energy: -161.467
Base-Backbone interact. energy: -1.428
local terms energy: -223.762360
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -63.102
flat angles P-C4'-P energy: -27.967
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1094.722229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.722229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.722229 (E_RNA)
where:
Base-Base interactions energy: -767.502
where: short stacking energy: -312.770
Base-Backbone interact. energy: -2.305
local terms energy: -324.914821
where:
bonds (distance) C4'-P energy: -67.712
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -61.766
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -87.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1052.266345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.266345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.266345 (E_RNA)
where:
Base-Base interactions energy: -727.979
where: short stacking energy: -314.076
Base-Backbone interact. energy: -1.599
local terms energy: -322.687776
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -58.087
flat angles C4'-P-C4' energy: -69.817
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -88.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1011.413395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.413395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.413395 (E_RNA)
where:
Base-Base interactions energy: -699.663
where: short stacking energy: -314.780
Base-Backbone interact. energy: -0.866
local terms energy: -310.884484
where:
bonds (distance) C4'-P energy: -55.512
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -68.290
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -89.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -947.789277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.789277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.789277 (E_RNA)
where:
Base-Base interactions energy: -654.863
where: short stacking energy: -281.870
Base-Backbone interact. energy: -1.706
local terms energy: -291.220289
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -63.482
flat angles P-C4'-P energy: -39.949
tors. eta vs tors. theta energy: -86.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -862.562346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.562346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.562346 (E_RNA)
where:
Base-Base interactions energy: -575.533
where: short stacking energy: -254.003
Base-Backbone interact. energy: -0.333
local terms energy: -286.697006
where:
bonds (distance) C4'-P energy: -48.792
bonds (distance) P-C4' energy: -57.951
flat angles C4'-P-C4' energy: -65.205
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -70.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -857.309518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.309518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.309518 (E_RNA)
where:
Base-Base interactions energy: -573.157
where: short stacking energy: -245.764
Base-Backbone interact. energy: -0.937
local terms energy: -283.215558
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -66.872
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -67.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -812.081158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.081158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.081158 (E_RNA)
where:
Base-Base interactions energy: -581.799
where: short stacking energy: -264.926
Base-Backbone interact. energy: -1.502
local terms energy: -228.780404
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -59.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -734.704549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.704549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.704549 (E_RNA)
where:
Base-Base interactions energy: -469.181
where: short stacking energy: -219.435
Base-Backbone interact. energy: 0.758
local terms energy: -266.280946
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -62.050
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -55.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -569.254459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.254459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.254459 (E_RNA)
where:
Base-Base interactions energy: -355.862
where: short stacking energy: -163.317
Base-Backbone interact. energy: -0.930
local terms energy: -212.461977
where:
bonds (distance) C4'-P energy: -46.665
bonds (distance) P-C4' energy: -43.804
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -487.435191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.435191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.435191 (E_RNA)
where:
Base-Base interactions energy: -307.313
where: short stacking energy: -162.845
Base-Backbone interact. energy: -2.007
local terms energy: -178.115498
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -35.394
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1111.031108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.031108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.031108 (E_RNA)
where:
Base-Base interactions energy: -781.603
where: short stacking energy: -317.876
Base-Backbone interact. energy: -2.563
local terms energy: -326.865548
where:
bonds (distance) C4'-P energy: -56.055
bonds (distance) P-C4' energy: -64.819
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -93.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1032.034164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.034164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.034164 (E_RNA)
where:
Base-Base interactions energy: -717.991
where: short stacking energy: -313.321
Base-Backbone interact. energy: -0.456
local terms energy: -313.587715
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -59.409
flat angles C4'-P-C4' energy: -64.288
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -93.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1065.938192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.938192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.938192 (E_RNA)
where:
Base-Base interactions energy: -735.308
where: short stacking energy: -337.323
Base-Backbone interact. energy: -1.827
local terms energy: -328.803580
where:
bonds (distance) C4'-P energy: -56.098
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -69.769
flat angles P-C4'-P energy: -41.717
tors. eta vs tors. theta energy: -95.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -952.790938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.790938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.790938 (E_RNA)
where:
Base-Base interactions energy: -651.040
where: short stacking energy: -290.099
Base-Backbone interact. energy: -1.145
local terms energy: -300.606835
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -49.365
flat angles C4'-P-C4' energy: -65.787
flat angles P-C4'-P energy: -40.182
tors. eta vs tors. theta energy: -85.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -878.517920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.517920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.517920 (E_RNA)
where:
Base-Base interactions energy: -580.585
where: short stacking energy: -274.727
Base-Backbone interact. energy: -0.695
local terms energy: -297.238477
where:
bonds (distance) C4'-P energy: -58.279
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -79.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -851.817743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.817743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.817743 (E_RNA)
where:
Base-Base interactions energy: -572.426
where: short stacking energy: -255.632
Base-Backbone interact. energy: 0.373
local terms energy: -279.765587
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -78.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -864.684074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.684074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.684074 (E_RNA)
where:
Base-Base interactions energy: -580.219
where: short stacking energy: -243.319
Base-Backbone interact. energy: 0.289
local terms energy: -284.753624
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -62.941
flat angles C4'-P-C4' energy: -66.709
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -70.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -701.558509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.558509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.558509 (E_RNA)
where:
Base-Base interactions energy: -475.963
where: short stacking energy: -208.193
Base-Backbone interact. energy: 0.897
local terms energy: -226.492942
where:
bonds (distance) C4'-P energy: -42.998
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -47.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -584.197604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.197604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.197604 (E_RNA)
where:
Base-Base interactions energy: -369.551
where: short stacking energy: -163.997
Base-Backbone interact. energy: -1.790
local terms energy: -212.856641
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -477.545466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.545466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.545466 (E_RNA)
where:
Base-Base interactions energy: -324.742
where: short stacking energy: -137.258
Base-Backbone interact. energy: 2.302
local terms energy: -155.106096
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1120.960949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.960949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.960949 (E_RNA)
where:
Base-Base interactions energy: -792.627
where: short stacking energy: -329.874
Base-Backbone interact. energy: -1.261
local terms energy: -327.072747
where:
bonds (distance) C4'-P energy: -63.836
bonds (distance) P-C4' energy: -59.186
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -91.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1041.425720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.425720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.425720 (E_RNA)
where:
Base-Base interactions energy: -718.283
where: short stacking energy: -329.308
Base-Backbone interact. energy: -0.707
local terms energy: -322.436197
where:
bonds (distance) C4'-P energy: -65.619
bonds (distance) P-C4' energy: -55.480
flat angles C4'-P-C4' energy: -62.375
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -95.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1060.349470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.349470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.349470 (E_RNA)
where:
Base-Base interactions energy: -748.717
where: short stacking energy: -333.231
Base-Backbone interact. energy: -0.360
local terms energy: -311.272398
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -63.379
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -96.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -947.618121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.618121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.618121 (E_RNA)
where:
Base-Base interactions energy: -633.675
where: short stacking energy: -273.022
Base-Backbone interact. energy: 0.415
local terms energy: -314.357380
where:
bonds (distance) C4'-P energy: -66.446
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -85.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -886.554134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.554134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.554134 (E_RNA)
where:
Base-Base interactions energy: -605.770
where: short stacking energy: -259.384
Base-Backbone interact. energy: -0.257
local terms energy: -280.526813
where:
bonds (distance) C4'-P energy: -62.174
bonds (distance) P-C4' energy: -47.162
flat angles C4'-P-C4' energy: -67.116
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -66.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -838.582384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.582384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.582384 (E_RNA)
where:
Base-Base interactions energy: -563.185
where: short stacking energy: -252.079
Base-Backbone interact. energy: -1.124
local terms energy: -274.273639
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -59.169
flat angles C4'-P-C4' energy: -57.124
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -62.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -847.046681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.046681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.046681 (E_RNA)
where:
Base-Base interactions energy: -586.580
where: short stacking energy: -250.950
Base-Backbone interact. energy: -2.207
local terms energy: -258.259271
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -55.489
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -64.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -735.240060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.240060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.240060 (E_RNA)
where:
Base-Base interactions energy: -492.053
where: short stacking energy: -218.803
Base-Backbone interact. energy: -0.874
local terms energy: -242.313094
where:
bonds (distance) C4'-P energy: -46.474
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -58.630
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -52.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -593.961841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.961841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.961841 (E_RNA)
where:
Base-Base interactions energy: -376.222
where: short stacking energy: -165.798
Base-Backbone interact. energy: 1.574
local terms energy: -219.314279
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -45.663
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -33.509
tors. eta vs tors. theta energy: -38.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -465.854244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.854244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.854244 (E_RNA)
where:
Base-Base interactions energy: -253.099
where: short stacking energy: -139.499
Base-Backbone interact. energy: -0.706
local terms energy: -212.049824
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -51.021
flat angles C4'-P-C4' energy: -44.110
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1116.635115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.635115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.635115 (E_RNA)
where:
Base-Base interactions energy: -789.093
where: short stacking energy: -332.835
Base-Backbone interact. energy: -0.727
local terms energy: -326.814874
where:
bonds (distance) C4'-P energy: -62.535
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -65.387
flat angles P-C4'-P energy: -42.295
tors. eta vs tors. theta energy: -88.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1043.643954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.643954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.643954 (E_RNA)
where:
Base-Base interactions energy: -714.757
where: short stacking energy: -303.800
Base-Backbone interact. energy: -0.319
local terms energy: -328.567699
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -67.308
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -88.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1060.188730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.188730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.188730 (E_RNA)
where:
Base-Base interactions energy: -747.659
where: short stacking energy: -324.124
Base-Backbone interact. energy: -1.538
local terms energy: -310.991908
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -59.530
flat angles C4'-P-C4' energy: -65.265
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -84.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -949.774353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.774353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.774353 (E_RNA)
where:
Base-Base interactions energy: -650.728
where: short stacking energy: -290.069
Base-Backbone interact. energy: -1.308
local terms energy: -297.738272
where:
bonds (distance) C4'-P energy: -53.173
bonds (distance) P-C4' energy: -61.458
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: -83.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -876.894064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.894064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.894064 (E_RNA)
where:
Base-Base interactions energy: -587.647
where: short stacking energy: -248.855
Base-Backbone interact. energy: -2.437
local terms energy: -286.810076
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -65.717
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -74.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -875.951805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.951805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.951805 (E_RNA)
where:
Base-Base interactions energy: -612.413
where: short stacking energy: -234.454
Base-Backbone interact. energy: -0.168
local terms energy: -263.370393
where:
bonds (distance) C4'-P energy: -45.909
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -37.618
tors. eta vs tors. theta energy: -63.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -872.042379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.042379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.042379 (E_RNA)
where:
Base-Base interactions energy: -603.681
where: short stacking energy: -263.060
Base-Backbone interact. energy: 0.765
local terms energy: -269.126409
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -47.478
flat angles C4'-P-C4' energy: -64.390
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -69.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -715.161604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.161604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.161604 (E_RNA)
where:
Base-Base interactions energy: -493.322
where: short stacking energy: -199.204
Base-Backbone interact. energy: -1.955
local terms energy: -219.884564
where:
bonds (distance) C4'-P energy: -47.995
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: -33.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -599.144287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.144287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.144287 (E_RNA)
where:
Base-Base interactions energy: -393.465
where: short stacking energy: -193.873
Base-Backbone interact. energy: 4.013
local terms energy: -209.692132
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -58.381
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -47.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -418.983547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.983547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.983547 (E_RNA)
where:
Base-Base interactions energy: -224.716
where: short stacking energy: -130.164
Base-Backbone interact. energy: 0.226
local terms energy: -194.493585
where:
bonds (distance) C4'-P energy: -57.605
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -48.051
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1094.643282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.643282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.643282 (E_RNA)
where:
Base-Base interactions energy: -775.816
where: short stacking energy: -336.224
Base-Backbone interact. energy: -0.722
local terms energy: -318.105183
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -90.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1103.905786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.905786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.905786 (E_RNA)
where:
Base-Base interactions energy: -773.585
where: short stacking energy: -320.447
Base-Backbone interact. energy: -3.518
local terms energy: -326.802763
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -58.478
flat angles C4'-P-C4' energy: -71.009
flat angles P-C4'-P energy: -46.088
tors. eta vs tors. theta energy: -94.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1036.034011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.034011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.034011 (E_RNA)
where:
Base-Base interactions energy: -725.174
where: short stacking energy: -314.404
Base-Backbone interact. energy: 0.644
local terms energy: -311.504201
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -68.711
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -91.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -971.050037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.050037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.050037 (E_RNA)
where:
Base-Base interactions energy: -657.631
where: short stacking energy: -304.915
Base-Backbone interact. energy: -0.892
local terms energy: -312.527494
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -91.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -844.770195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.770195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.770195 (E_RNA)
where:
Base-Base interactions energy: -553.054
where: short stacking energy: -257.099
Base-Backbone interact. energy: -1.109
local terms energy: -290.608067
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -67.679
flat angles C4'-P-C4' energy: -68.328
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -74.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -882.389844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.389844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.389844 (E_RNA)
where:
Base-Base interactions energy: -602.351
where: short stacking energy: -270.606
Base-Backbone interact. energy: -1.839
local terms energy: -278.200360
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -42.324
tors. eta vs tors. theta energy: -77.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -824.323843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.323843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.323843 (E_RNA)
where:
Base-Base interactions energy: -567.078
where: short stacking energy: -241.756
Base-Backbone interact. energy: 0.416
local terms energy: -257.662021
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -59.720
flat angles C4'-P-C4' energy: -54.328
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -64.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -727.728655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.728655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.728655 (E_RNA)
where:
Base-Base interactions energy: -477.186
where: short stacking energy: -204.655
Base-Backbone interact. energy: -1.103
local terms energy: -249.439444
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -51.478
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -48.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -574.472778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.472778 (E_RNA)
where:
Base-Base interactions energy: -369.797
where: short stacking energy: -211.496
Base-Backbone interact. energy: -0.774
local terms energy: -203.901926
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -41.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -438.042516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.042516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.042516 (E_RNA)
where:
Base-Base interactions energy: -236.600
where: short stacking energy: -127.928
Base-Backbone interact. energy: -0.303
local terms energy: -201.139267
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -48.079
flat angles C4'-P-C4' energy: -56.721
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1084.906390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.906390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.906390 (E_RNA)
where:
Base-Base interactions energy: -746.950
where: short stacking energy: -321.529
Base-Backbone interact. energy: 0.621
local terms energy: -338.577502
where:
bonds (distance) C4'-P energy: -67.486
bonds (distance) P-C4' energy: -65.396
flat angles C4'-P-C4' energy: -70.547
flat angles P-C4'-P energy: -43.380
tors. eta vs tors. theta energy: -91.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1087.632813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.632813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.632813 (E_RNA)
where:
Base-Base interactions energy: -776.747
where: short stacking energy: -322.906
Base-Backbone interact. energy: -2.579
local terms energy: -308.306650
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -53.878
tors. eta vs tors. theta energy: -87.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1029.664334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.664334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.664334 (E_RNA)
where:
Base-Base interactions energy: -707.185
where: short stacking energy: -319.689
Base-Backbone interact. energy: -2.585
local terms energy: -319.893967
where:
bonds (distance) C4'-P energy: -56.685
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -66.587
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -95.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -959.008937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.008937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.008937 (E_RNA)
where:
Base-Base interactions energy: -652.180
where: short stacking energy: -277.940
Base-Backbone interact. energy: -1.481
local terms energy: -305.348045
where:
bonds (distance) C4'-P energy: -51.747
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -71.639
flat angles P-C4'-P energy: -44.000
tors. eta vs tors. theta energy: -83.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -831.927016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.927016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.927016 (E_RNA)
where:
Base-Base interactions energy: -551.257
where: short stacking energy: -270.923
Base-Backbone interact. energy: -0.990
local terms energy: -279.680334
where:
bonds (distance) C4'-P energy: -55.594
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -67.179
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -67.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -843.394707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.394707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.394707 (E_RNA)
where:
Base-Base interactions energy: -571.854
where: short stacking energy: -255.919
Base-Backbone interact. energy: -1.694
local terms energy: -269.847353
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -78.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -908.873132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.873132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.873132 (E_RNA)
where:
Base-Base interactions energy: -650.576
where: short stacking energy: -275.238
Base-Backbone interact. energy: -2.523
local terms energy: -255.773861
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -49.836
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -80.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -724.859088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.859088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.859088 (E_RNA)
where:
Base-Base interactions energy: -478.178
where: short stacking energy: -225.954
Base-Backbone interact. energy: 0.636
local terms energy: -247.317153
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -52.378
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -41.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -590.576632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.576632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.576632 (E_RNA)
where:
Base-Base interactions energy: -366.303
where: short stacking energy: -166.505
Base-Backbone interact. energy: 0.652
local terms energy: -224.926398
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -54.518
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -41.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -408.862057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.862057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.862057 (E_RNA)
where:
Base-Base interactions energy: -235.132
where: short stacking energy: -120.943
Base-Backbone interact. energy: 2.012
local terms energy: -175.741617
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -42.344
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1110.875496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.875496 (E_RNA)
where:
Base-Base interactions energy: -799.580
where: short stacking energy: -318.664
Base-Backbone interact. energy: -1.670
local terms energy: -309.624862
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -53.902
flat angles C4'-P-C4' energy: -71.174
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -91.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1068.643244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.643244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.643244 (E_RNA)
where:
Base-Base interactions energy: -739.057
where: short stacking energy: -320.958
Base-Backbone interact. energy: -0.982
local terms energy: -328.604077
where:
bonds (distance) C4'-P energy: -59.744
bonds (distance) P-C4' energy: -64.494
flat angles C4'-P-C4' energy: -70.104
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -90.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1043.853570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.853570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.853570 (E_RNA)
where:
Base-Base interactions energy: -719.976
where: short stacking energy: -326.976
Base-Backbone interact. energy: -1.620
local terms energy: -322.257041
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: -87.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -962.661784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.661784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.661784 (E_RNA)
where:
Base-Base interactions energy: -676.857
where: short stacking energy: -293.828
Base-Backbone interact. energy: -0.851
local terms energy: -284.953808
where:
bonds (distance) C4'-P energy: -58.410
bonds (distance) P-C4' energy: -41.672
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -908.066754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.066754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.066754 (E_RNA)
where:
Base-Base interactions energy: -613.021
where: short stacking energy: -258.449
Base-Backbone interact. energy: -1.990
local terms energy: -293.055716
where:
bonds (distance) C4'-P energy: -61.502
bonds (distance) P-C4' energy: -54.994
flat angles C4'-P-C4' energy: -61.117
flat angles P-C4'-P energy: -45.242
tors. eta vs tors. theta energy: -70.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -837.013807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.013807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.013807 (E_RNA)
where:
Base-Base interactions energy: -567.329
where: short stacking energy: -257.958
Base-Backbone interact. energy: -0.842
local terms energy: -268.842801
where:
bonds (distance) C4'-P energy: -58.285
bonds (distance) P-C4' energy: -57.388
flat angles C4'-P-C4' energy: -55.457
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -70.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -886.878937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.878937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.878937 (E_RNA)
where:
Base-Base interactions energy: -636.447
where: short stacking energy: -258.106
Base-Backbone interact. energy: -0.902
local terms energy: -249.529803
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -43.925
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -68.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -728.100054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.100054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.100054 (E_RNA)
where:
Base-Base interactions energy: -480.190
where: short stacking energy: -228.445
Base-Backbone interact. energy: -0.076
local terms energy: -247.834655
where:
bonds (distance) C4'-P energy: -53.562
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -51.817
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -55.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -591.759704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.759704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.759704 (E_RNA)
where:
Base-Base interactions energy: -357.811
where: short stacking energy: -187.629
Base-Backbone interact. energy: 1.351
local terms energy: -235.299224
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -58.013
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -48.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -426.047322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.047322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.047322 (E_RNA)
where:
Base-Base interactions energy: -237.727
where: short stacking energy: -122.412
Base-Backbone interact. energy: 4.912
local terms energy: -193.231609
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1121.718921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.718921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.718921 (E_RNA)
where:
Base-Base interactions energy: -790.824
where: short stacking energy: -326.938
Base-Backbone interact. energy: -1.523
local terms energy: -329.371203
where:
bonds (distance) C4'-P energy: -63.536
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -71.302
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -94.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1047.791885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.791885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.791885 (E_RNA)
where:
Base-Base interactions energy: -721.583
where: short stacking energy: -302.947
Base-Backbone interact. energy: -2.751
local terms energy: -323.457907
where:
bonds (distance) C4'-P energy: -56.656
bonds (distance) P-C4' energy: -63.538
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -90.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1046.123867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.123867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.123867 (E_RNA)
where:
Base-Base interactions energy: -737.604
where: short stacking energy: -305.134
Base-Backbone interact. energy: -0.115
local terms energy: -308.405663
where:
bonds (distance) C4'-P energy: -56.548
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -53.347
tors. eta vs tors. theta energy: -83.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -957.875938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.875938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.875938 (E_RNA)
where:
Base-Base interactions energy: -668.215
where: short stacking energy: -288.762
Base-Backbone interact. energy: -0.804
local terms energy: -288.856700
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -61.062
flat angles C4'-P-C4' energy: -61.172
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -82.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -909.424405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.424405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.424405 (E_RNA)
where:
Base-Base interactions energy: -630.699
where: short stacking energy: -258.824
Base-Backbone interact. energy: -1.786
local terms energy: -276.939246
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -70.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -899.383544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.383544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.383544 (E_RNA)
where:
Base-Base interactions energy: -638.454
where: short stacking energy: -262.861
Base-Backbone interact. energy: -1.199
local terms energy: -259.729838
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -66.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -787.298103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.298103 (E_RNA)
where:
Base-Base interactions energy: -544.816
where: short stacking energy: -228.368
Base-Backbone interact. energy: -1.887
local terms energy: -240.594930
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -36.120
tors. eta vs tors. theta energy: -54.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -730.985567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.985567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.985567 (E_RNA)
where:
Base-Base interactions energy: -503.412
where: short stacking energy: -222.102
Base-Backbone interact. energy: -1.411
local terms energy: -226.162594
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -43.442
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -52.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -531.280285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.280285 (E_RNA)
where:
Base-Base interactions energy: -333.196
where: short stacking energy: -155.273
Base-Backbone interact. energy: 1.022
local terms energy: -199.106833
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -55.964
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -318.744080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.744080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.744080 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -89.932
Base-Backbone interact. energy: 5.076
local terms energy: -175.221441
where:
bonds (distance) C4'-P energy: -56.281
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -40.013
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1128.316643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.316643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.316643 (E_RNA)
where:
Base-Base interactions energy: -789.855
where: short stacking energy: -326.453
Base-Backbone interact. energy: -1.826
local terms energy: -336.635579
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -70.595
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -94.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1056.182272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.182272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.182272 (E_RNA)
where:
Base-Base interactions energy: -728.249
where: short stacking energy: -306.295
Base-Backbone interact. energy: -0.816
local terms energy: -327.117106
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -61.027
flat angles C4'-P-C4' energy: -67.590
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -93.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1040.807027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.807027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.807027 (E_RNA)
where:
Base-Base interactions energy: -725.258
where: short stacking energy: -327.535
Base-Backbone interact. energy: -0.033
local terms energy: -315.515769
where:
bonds (distance) C4'-P energy: -59.598
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -67.217
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -91.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -984.675140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.675140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.675140 (E_RNA)
where:
Base-Base interactions energy: -668.464
where: short stacking energy: -292.599
Base-Backbone interact. energy: -0.775
local terms energy: -315.436072
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -81.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -909.036293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.036293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.036293 (E_RNA)
where:
Base-Base interactions energy: -625.899
where: short stacking energy: -265.646
Base-Backbone interact. energy: -1.140
local terms energy: -281.996839
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -58.508
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -72.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -903.156597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.156597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.156597 (E_RNA)
where:
Base-Base interactions energy: -624.498
where: short stacking energy: -248.017
Base-Backbone interact. energy: -0.875
local terms energy: -277.783798
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -52.209
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -72.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -770.300179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.300179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.300179 (E_RNA)
where:
Base-Base interactions energy: -531.951
where: short stacking energy: -237.765
Base-Backbone interact. energy: -0.041
local terms energy: -238.307391
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -58.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -707.760521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.760521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.760521 (E_RNA)
where:
Base-Base interactions energy: -466.672
where: short stacking energy: -208.858
Base-Backbone interact. energy: -0.967
local terms energy: -240.121657
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -35.648
tors. eta vs tors. theta energy: -40.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -560.143219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.143219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.143219 (E_RNA)
where:
Base-Base interactions energy: -351.923
where: short stacking energy: -160.089
Base-Backbone interact. energy: 3.509
local terms energy: -211.729111
where:
bonds (distance) C4'-P energy: -40.298
bonds (distance) P-C4' energy: -59.560
flat angles C4'-P-C4' energy: -49.811
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -273.112676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.112676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.112676 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -102.136
Base-Backbone interact. energy: -0.488
local terms energy: -154.483166
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: 7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1124.852776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.852776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.852776 (E_RNA)
where:
Base-Base interactions energy: -788.500
where: short stacking energy: -331.354
Base-Backbone interact. energy: -1.183
local terms energy: -335.169530
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -67.531
flat angles C4'-P-C4' energy: -70.919
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -93.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1051.476937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.476937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.476937 (E_RNA)
where:
Base-Base interactions energy: -705.174
where: short stacking energy: -329.889
Base-Backbone interact. energy: -1.002
local terms energy: -345.301138
where:
bonds (distance) C4'-P energy: -63.300
bonds (distance) P-C4' energy: -61.565
flat angles C4'-P-C4' energy: -75.854
flat angles P-C4'-P energy: -50.826
tors. eta vs tors. theta energy: -93.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1076.170250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.170250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.170250 (E_RNA)
where:
Base-Base interactions energy: -752.425
where: short stacking energy: -330.669
Base-Backbone interact. energy: -2.009
local terms energy: -321.736231
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -65.324
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -90.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -957.378063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.378063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.378063 (E_RNA)
where:
Base-Base interactions energy: -651.104
where: short stacking energy: -289.515
Base-Backbone interact. energy: -2.542
local terms energy: -303.731847
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -38.523
tors. eta vs tors. theta energy: -85.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -921.362744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.362744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.362744 (E_RNA)
where:
Base-Base interactions energy: -638.793
where: short stacking energy: -269.980
Base-Backbone interact. energy: -0.856
local terms energy: -281.714685
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -61.073
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -79.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -930.080440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.080440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.080440 (E_RNA)
where:
Base-Base interactions energy: -654.219
where: short stacking energy: -274.130
Base-Backbone interact. energy: -0.674
local terms energy: -275.187185
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -62.324
flat angles C4'-P-C4' energy: -62.226
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -72.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -760.240514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.240514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.240514 (E_RNA)
where:
Base-Base interactions energy: -502.218
where: short stacking energy: -224.530
Base-Backbone interact. energy: -1.592
local terms energy: -256.430453
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -49.558
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -40.108
tors. eta vs tors. theta energy: -63.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -721.307691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.307691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.307691 (E_RNA)
where:
Base-Base interactions energy: -496.773
where: short stacking energy: -233.658
Base-Backbone interact. energy: -0.297
local terms energy: -224.237096
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -56.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -567.127157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.127157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.127157 (E_RNA)
where:
Base-Base interactions energy: -368.461
where: short stacking energy: -160.629
Base-Backbone interact. energy: 3.956
local terms energy: -202.622144
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -44.502
flat angles C4'-P-C4' energy: -61.882
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -29.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -349.845103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.845103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.845103 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -95.582
Base-Backbone interact. energy: -0.937
local terms energy: -168.801753
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -48.915
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1107.644402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.644402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.644402 (E_RNA)
where:
Base-Base interactions energy: -772.387
where: short stacking energy: -322.763
Base-Backbone interact. energy: -1.389
local terms energy: -333.868080
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -71.814
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -89.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1054.964697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.964697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.964697 (E_RNA)
where:
Base-Base interactions energy: -735.214
where: short stacking energy: -332.700
Base-Backbone interact. energy: -0.525
local terms energy: -319.225182
where:
bonds (distance) C4'-P energy: -68.799
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -92.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1069.900093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.900093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.900093 (E_RNA)
where:
Base-Base interactions energy: -761.458
where: short stacking energy: -321.648
Base-Backbone interact. energy: -0.998
local terms energy: -307.444045
where:
bonds (distance) C4'-P energy: -51.075
bonds (distance) P-C4' energy: -64.538
flat angles C4'-P-C4' energy: -65.768
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -82.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -936.215138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.215138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.215138 (E_RNA)
where:
Base-Base interactions energy: -634.485
where: short stacking energy: -265.059
Base-Backbone interact. energy: -0.054
local terms energy: -301.676227
where:
bonds (distance) C4'-P energy: -62.868
bonds (distance) P-C4' energy: -62.564
flat angles C4'-P-C4' energy: -66.636
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -70.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -957.503550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.503550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.503550 (E_RNA)
where:
Base-Base interactions energy: -667.012
where: short stacking energy: -280.152
Base-Backbone interact. energy: -2.271
local terms energy: -288.220566
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -52.159
flat angles C4'-P-C4' energy: -68.865
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: -75.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -913.369870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.369870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.369870 (E_RNA)
where:
Base-Base interactions energy: -629.666
where: short stacking energy: -276.868
Base-Backbone interact. energy: -2.042
local terms energy: -281.662100
where:
bonds (distance) C4'-P energy: -48.062
bonds (distance) P-C4' energy: -56.788
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -80.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -774.451342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.451342 (E_RNA)
where:
Base-Base interactions energy: -510.693
where: short stacking energy: -236.656
Base-Backbone interact. energy: -1.030
local terms energy: -262.729061
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -53.962
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -57.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -696.321328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.321328 (E_RNA)
where:
Base-Base interactions energy: -460.493
where: short stacking energy: -212.559
Base-Backbone interact. energy: 0.198
local terms energy: -236.026431
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -40.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -597.260193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.260193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.260193 (E_RNA)
where:
Base-Base interactions energy: -369.637
where: short stacking energy: -175.975
Base-Backbone interact. energy: 0.218
local terms energy: -227.841138
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -37.760
tors. eta vs tors. theta energy: -34.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -345.589953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.589953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.589953 (E_RNA)
where:
Base-Base interactions energy: -185.386
where: short stacking energy: -112.171
Base-Backbone interact. energy: 2.573
local terms energy: -162.777417
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1098.892461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.892461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.892461 (E_RNA)
where:
Base-Base interactions energy: -767.320
where: short stacking energy: -331.121
Base-Backbone interact. energy: -0.992
local terms energy: -330.579941
where:
bonds (distance) C4'-P energy: -53.468
bonds (distance) P-C4' energy: -65.708
flat angles C4'-P-C4' energy: -73.062
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -93.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1045.926759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.926759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.926759 (E_RNA)
where:
Base-Base interactions energy: -729.563
where: short stacking energy: -306.724
Base-Backbone interact. energy: -0.165
local terms energy: -316.199012
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -68.912
flat angles P-C4'-P energy: -46.801
tors. eta vs tors. theta energy: -84.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1034.601296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.601296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.601296 (E_RNA)
where:
Base-Base interactions energy: -698.690
where: short stacking energy: -296.243
Base-Backbone interact. energy: -0.942
local terms energy: -334.969025
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -71.102
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -89.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -962.929299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.929299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.929299 (E_RNA)
where:
Base-Base interactions energy: -662.385
where: short stacking energy: -299.394
Base-Backbone interact. energy: -3.243
local terms energy: -297.301250
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -62.325
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -88.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -939.314277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.314277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.314277 (E_RNA)
where:
Base-Base interactions energy: -658.527
where: short stacking energy: -282.345
Base-Backbone interact. energy: -0.063
local terms energy: -280.724323
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -76.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -905.620283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.620283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.620283 (E_RNA)
where:
Base-Base interactions energy: -604.269
where: short stacking energy: -269.468
Base-Backbone interact. energy: -0.063
local terms energy: -301.287981
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -64.328
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -77.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -765.136951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.136951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.136951 (E_RNA)
where:
Base-Base interactions energy: -497.123
where: short stacking energy: -220.301
Base-Backbone interact. energy: 2.627
local terms energy: -270.640588
where:
bonds (distance) C4'-P energy: -50.458
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -64.732
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: -66.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -719.008996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.008996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.008996 (E_RNA)
where:
Base-Base interactions energy: -482.627
where: short stacking energy: -218.849
Base-Backbone interact. energy: -1.197
local terms energy: -235.184586
where:
bonds (distance) C4'-P energy: -51.592
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -56.447
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -597.430093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.430093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.430093 (E_RNA)
where:
Base-Base interactions energy: -371.780
where: short stacking energy: -166.270
Base-Backbone interact. energy: -0.924
local terms energy: -224.725377
where:
bonds (distance) C4'-P energy: -48.882
bonds (distance) P-C4' energy: -53.942
flat angles C4'-P-C4' energy: -58.484
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -29.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -343.305680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.305680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.305680 (E_RNA)
where:
Base-Base interactions energy: -193.927
where: short stacking energy: -95.113
Base-Backbone interact. energy: 0.557
local terms energy: -149.935562
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -49.796
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: 7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1115.615123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.615123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.615123 (E_RNA)
where:
Base-Base interactions energy: -775.890
where: short stacking energy: -336.328
Base-Backbone interact. energy: -0.326
local terms energy: -339.399933
where:
bonds (distance) C4'-P energy: -65.974
bonds (distance) P-C4' energy: -60.198
flat angles C4'-P-C4' energy: -69.186
flat angles P-C4'-P energy: -55.657
tors. eta vs tors. theta energy: -88.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1092.970505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.970505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.970505 (E_RNA)
where:
Base-Base interactions energy: -775.170
where: short stacking energy: -326.096
Base-Backbone interact. energy: -0.296
local terms energy: -317.504213
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -59.783
flat angles C4'-P-C4' energy: -66.128
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -90.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1021.936964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.936964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.936964 (E_RNA)
where:
Base-Base interactions energy: -693.770
where: short stacking energy: -307.168
Base-Backbone interact. energy: -0.205
local terms energy: -327.962298
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -65.104
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -94.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -912.002766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.002766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.002766 (E_RNA)
where:
Base-Base interactions energy: -639.242
where: short stacking energy: -279.760
Base-Backbone interact. energy: -1.581
local terms energy: -271.179632
where:
bonds (distance) C4'-P energy: -50.766
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -65.945
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -74.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -964.357019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.357019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.357019 (E_RNA)
where:
Base-Base interactions energy: -664.039
where: short stacking energy: -274.398
Base-Backbone interact. energy: -0.317
local terms energy: -300.001493
where:
bonds (distance) C4'-P energy: -57.108
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -67.875
flat angles P-C4'-P energy: -48.668
tors. eta vs tors. theta energy: -74.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -894.154331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.154331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.154331 (E_RNA)
where:
Base-Base interactions energy: -627.352
where: short stacking energy: -276.262
Base-Backbone interact. energy: -1.688
local terms energy: -265.113455
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -57.128
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -79.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -735.208610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.208610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.208610 (E_RNA)
where:
Base-Base interactions energy: -493.199
where: short stacking energy: -214.299
Base-Backbone interact. energy: 1.073
local terms energy: -243.082835
where:
bonds (distance) C4'-P energy: -41.058
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -65.117
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -39.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -737.873729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.873729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.873729 (E_RNA)
where:
Base-Base interactions energy: -498.663
where: short stacking energy: -232.645
Base-Backbone interact. energy: -0.581
local terms energy: -238.630065
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -49.822
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -48.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -612.442228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.442228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.442228 (E_RNA)
where:
Base-Base interactions energy: -390.676
where: short stacking energy: -192.903
Base-Backbone interact. energy: 0.649
local terms energy: -222.415450
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -50.012
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -368.210945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.210945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.210945 (E_RNA)
where:
Base-Base interactions energy: -191.237
where: short stacking energy: -121.677
Base-Backbone interact. energy: -1.600
local terms energy: -175.373868
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -41.958
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1112.998663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.998663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.998663 (E_RNA)
where:
Base-Base interactions energy: -798.675
where: short stacking energy: -333.634
Base-Backbone interact. energy: -0.019
local terms energy: -314.304813
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -56.408
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: -92.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1070.083347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.083347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.083347 (E_RNA)
where:
Base-Base interactions energy: -758.219
where: short stacking energy: -318.673
Base-Backbone interact. energy: 1.214
local terms energy: -313.078398
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -64.100
flat angles P-C4'-P energy: -40.777
tors. eta vs tors. theta energy: -88.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -991.249102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.249102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.249102 (E_RNA)
where:
Base-Base interactions energy: -678.569
where: short stacking energy: -289.305
Base-Backbone interact. energy: 1.684
local terms energy: -314.363807
where:
bonds (distance) C4'-P energy: -62.110
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -64.239
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -81.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -965.765161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.765161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.765161 (E_RNA)
where:
Base-Base interactions energy: -672.456
where: short stacking energy: -293.140
Base-Backbone interact. energy: -1.216
local terms energy: -292.092725
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -67.299
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -69.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -878.579664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.579664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.579664 (E_RNA)
where:
Base-Base interactions energy: -575.357
where: short stacking energy: -257.962
Base-Backbone interact. energy: -2.905
local terms energy: -300.318319
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -56.630
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -74.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -901.323619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.323619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.323619 (E_RNA)
where:
Base-Base interactions energy: -621.079
where: short stacking energy: -245.744
Base-Backbone interact. energy: -0.771
local terms energy: -279.474091
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -59.585
flat angles C4'-P-C4' energy: -64.592
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -71.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -758.725428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.725428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.725428 (E_RNA)
where:
Base-Base interactions energy: -517.784
where: short stacking energy: -230.634
Base-Backbone interact. energy: -0.267
local terms energy: -240.673718
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: -54.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -709.665208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.665208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.665208 (E_RNA)
where:
Base-Base interactions energy: -480.955
where: short stacking energy: -218.663
Base-Backbone interact. energy: 2.075
local terms energy: -230.785819
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -60.612
flat angles C4'-P-C4' energy: -45.439
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -49.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -641.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.329370 (E_RNA)
where:
Base-Base interactions energy: -405.317
where: short stacking energy: -195.047
Base-Backbone interact. energy: -3.956
local terms energy: -232.057107
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -36.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -359.492953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.492953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.492953 (E_RNA)
where:
Base-Base interactions energy: -167.030
where: short stacking energy: -102.638
Base-Backbone interact. energy: 0.417
local terms energy: -192.880350
where:
bonds (distance) C4'-P energy: -56.789
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1121.544264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.544264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.544264 (E_RNA)
where:
Base-Base interactions energy: -803.340
where: short stacking energy: -331.262
Base-Backbone interact. energy: -0.732
local terms energy: -317.472084
where:
bonds (distance) C4'-P energy: -58.142
bonds (distance) P-C4' energy: -55.059
flat angles C4'-P-C4' energy: -67.997
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -95.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1083.425654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.425654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.425654 (E_RNA)
where:
Base-Base interactions energy: -760.672
where: short stacking energy: -323.320
Base-Backbone interact. energy: -0.380
local terms energy: -322.372724
where:
bonds (distance) C4'-P energy: -62.333
bonds (distance) P-C4' energy: -64.420
flat angles C4'-P-C4' energy: -61.551
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -83.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1012.602549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.602549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.602549 (E_RNA)
where:
Base-Base interactions energy: -693.875
where: short stacking energy: -301.034
Base-Backbone interact. energy: -0.613
local terms energy: -318.114701
where:
bonds (distance) C4'-P energy: -59.854
bonds (distance) P-C4' energy: -63.974
flat angles C4'-P-C4' energy: -69.218
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -79.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -982.257731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.257731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.257731 (E_RNA)
where:
Base-Base interactions energy: -671.698
where: short stacking energy: -283.970
Base-Backbone interact. energy: -0.645
local terms energy: -309.915406
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -51.438
tors. eta vs tors. theta energy: -74.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -892.120431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.120431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.120431 (E_RNA)
where:
Base-Base interactions energy: -605.290
where: short stacking energy: -263.706
Base-Backbone interact. energy: -2.039
local terms energy: -284.791834
where:
bonds (distance) C4'-P energy: -60.510
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -76.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -869.671633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.671633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.671633 (E_RNA)
where:
Base-Base interactions energy: -608.534
where: short stacking energy: -249.338
Base-Backbone interact. energy: -0.431
local terms energy: -260.706322
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -724.027458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.027458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.027458 (E_RNA)
where:
Base-Base interactions energy: -482.673
where: short stacking energy: -214.791
Base-Backbone interact. energy: -0.741
local terms energy: -240.613155
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -49.841
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -46.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -701.799637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.799637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.799637 (E_RNA)
where:
Base-Base interactions energy: -457.973
where: short stacking energy: -191.634
Base-Backbone interact. energy: -1.363
local terms energy: -242.463778
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -55.147
flat angles C4'-P-C4' energy: -53.217
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -51.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -593.433453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.433453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.433453 (E_RNA)
where:
Base-Base interactions energy: -388.345
where: short stacking energy: -171.633
Base-Backbone interact. energy: -1.662
local terms energy: -203.426613
where:
bonds (distance) C4'-P energy: -43.052
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -50.739
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -321.011126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.011126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.011126 (E_RNA)
where:
Base-Base interactions energy: -151.095
where: short stacking energy: -98.192
Base-Backbone interact. energy: -0.093
local terms energy: -169.823512
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -38.220
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: 6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1116.785839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.785839 (E_RNA)
where:
Base-Base interactions energy: -774.333
where: short stacking energy: -334.727
Base-Backbone interact. energy: -0.859
local terms energy: -341.593372
where:
bonds (distance) C4'-P energy: -60.377
bonds (distance) P-C4' energy: -65.066
flat angles C4'-P-C4' energy: -72.832
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -96.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1075.734454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.734454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.734454 (E_RNA)
where:
Base-Base interactions energy: -756.494
where: short stacking energy: -322.322
Base-Backbone interact. energy: -1.476
local terms energy: -317.763548
where:
bonds (distance) C4'-P energy: -59.433
bonds (distance) P-C4' energy: -56.640
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -49.614
tors. eta vs tors. theta energy: -87.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1005.804801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.804801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.804801 (E_RNA)
where:
Base-Base interactions energy: -694.183
where: short stacking energy: -290.898
Base-Backbone interact. energy: -0.084
local terms energy: -311.537461
where:
bonds (distance) C4'-P energy: -54.458
bonds (distance) P-C4' energy: -65.144
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -83.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -959.744714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.744714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.744714 (E_RNA)
where:
Base-Base interactions energy: -662.770
where: short stacking energy: -291.191
Base-Backbone interact. energy: 0.263
local terms energy: -297.237845
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -56.355
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -36.277
tors. eta vs tors. theta energy: -87.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -963.444997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.444997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.444997 (E_RNA)
where:
Base-Base interactions energy: -661.211
where: short stacking energy: -303.260
Base-Backbone interact. energy: -1.380
local terms energy: -300.854104
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -58.217
flat angles C4'-P-C4' energy: -66.212
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -78.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -901.653551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.653551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.653551 (E_RNA)
where:
Base-Base interactions energy: -614.712
where: short stacking energy: -281.382
Base-Backbone interact. energy: -2.157
local terms energy: -284.785098
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -51.985
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -39.567
tors. eta vs tors. theta energy: -77.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -752.305990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.305990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.305990 (E_RNA)
where:
Base-Base interactions energy: -494.734
where: short stacking energy: -236.139
Base-Backbone interact. energy: -0.372
local terms energy: -257.199950
where:
bonds (distance) C4'-P energy: -60.168
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -53.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -713.909620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.909620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.909620 (E_RNA)
where:
Base-Base interactions energy: -454.207
where: short stacking energy: -208.233
Base-Backbone interact. energy: -0.748
local terms energy: -258.954115
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -51.318
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -52.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -593.018414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.018414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.018414 (E_RNA)
where:
Base-Base interactions energy: -371.532
where: short stacking energy: -168.343
Base-Backbone interact. energy: 2.089
local terms energy: -223.575385
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -310.019045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.019045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.019045 (E_RNA)
where:
Base-Base interactions energy: -148.340
where: short stacking energy: -101.275
Base-Backbone interact. energy: 2.530
local terms energy: -164.209157
where:
bonds (distance) C4'-P energy: -43.635
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -38.834
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1118.650050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.650050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.650050 (E_RNA)
where:
Base-Base interactions energy: -773.527
where: short stacking energy: -325.451
Base-Backbone interact. energy: -2.557
local terms energy: -342.566701
where:
bonds (distance) C4'-P energy: -61.530
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -70.516
flat angles P-C4'-P energy: -55.265
tors. eta vs tors. theta energy: -93.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1087.481294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.481294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.481294 (E_RNA)
where:
Base-Base interactions energy: -759.917
where: short stacking energy: -310.224
Base-Backbone interact. energy: 1.738
local terms energy: -329.301995
where:
bonds (distance) C4'-P energy: -61.727
bonds (distance) P-C4' energy: -63.563
flat angles C4'-P-C4' energy: -73.331
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -84.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -994.359027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.359027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.359027 (E_RNA)
where:
Base-Base interactions energy: -693.154
where: short stacking energy: -282.602
Base-Backbone interact. energy: -1.231
local terms energy: -299.973415
where:
bonds (distance) C4'-P energy: -54.531
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -69.348
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -78.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -965.445266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.445266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.445266 (E_RNA)
where:
Base-Base interactions energy: -654.947
where: short stacking energy: -286.636
Base-Backbone interact. energy: -0.801
local terms energy: -309.697702
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -62.273
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -49.958
tors. eta vs tors. theta energy: -83.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -944.350851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.350851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.350851 (E_RNA)
where:
Base-Base interactions energy: -648.453
where: short stacking energy: -287.075
Base-Backbone interact. energy: -1.051
local terms energy: -294.846845
where:
bonds (distance) C4'-P energy: -54.407
bonds (distance) P-C4' energy: -60.150
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -79.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -888.136171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.136171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.136171 (E_RNA)
where:
Base-Base interactions energy: -596.256
where: short stacking energy: -257.921
Base-Backbone interact. energy: -1.361
local terms energy: -290.519417
where:
bonds (distance) C4'-P energy: -51.477
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -76.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -725.476643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.476643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.476643 (E_RNA)
where:
Base-Base interactions energy: -467.426
where: short stacking energy: -228.174
Base-Backbone interact. energy: -1.305
local terms energy: -256.745690
where:
bonds (distance) C4'-P energy: -44.908
bonds (distance) P-C4' energy: -55.643
flat angles C4'-P-C4' energy: -63.038
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -56.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -730.099148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.099148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.099148 (E_RNA)
where:
Base-Base interactions energy: -491.385
where: short stacking energy: -215.973
Base-Backbone interact. energy: 0.974
local terms energy: -239.688700
where:
bonds (distance) C4'-P energy: -43.546
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -51.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -626.691173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.691173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.691173 (E_RNA)
where:
Base-Base interactions energy: -413.114
where: short stacking energy: -184.289
Base-Backbone interact. energy: -1.608
local terms energy: -211.968622
where:
bonds (distance) C4'-P energy: -46.011
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -37.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -360.239931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.239931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.239931 (E_RNA)
where:
Base-Base interactions energy: -180.872
where: short stacking energy: -108.574
Base-Backbone interact. energy: 5.160
local terms energy: -184.528049
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -61.298
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -35.518
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1126.856238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.856238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.856238 (E_RNA)
where:
Base-Base interactions energy: -797.531
where: short stacking energy: -313.671
Base-Backbone interact. energy: 0.682
local terms energy: -330.007250
where:
bonds (distance) C4'-P energy: -56.198
bonds (distance) P-C4' energy: -67.958
flat angles C4'-P-C4' energy: -73.706
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -86.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1054.603389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.603389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.603389 (E_RNA)
where:
Base-Base interactions energy: -737.063
where: short stacking energy: -321.578
Base-Backbone interact. energy: -0.265
local terms energy: -317.275811
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -66.409
flat angles P-C4'-P energy: -47.701
tors. eta vs tors. theta energy: -87.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1012.415018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.415018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.415018 (E_RNA)
where:
Base-Base interactions energy: -698.941
where: short stacking energy: -290.435
Base-Backbone interact. energy: -0.255
local terms energy: -313.218838
where:
bonds (distance) C4'-P energy: -56.424
bonds (distance) P-C4' energy: -61.201
flat angles C4'-P-C4' energy: -67.768
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -84.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -990.522491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.522491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.522491 (E_RNA)
where:
Base-Base interactions energy: -700.518
where: short stacking energy: -305.672
Base-Backbone interact. energy: -0.532
local terms energy: -289.472800
where:
bonds (distance) C4'-P energy: -50.392
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -85.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -967.967219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.967219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.967219 (E_RNA)
where:
Base-Base interactions energy: -674.920
where: short stacking energy: -286.338
Base-Backbone interact. energy: -1.677
local terms energy: -291.371042
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -52.106
flat angles C4'-P-C4' energy: -63.432
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -83.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -928.025418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.025418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.025418 (E_RNA)
where:
Base-Base interactions energy: -626.676
where: short stacking energy: -281.903
Base-Backbone interact. energy: -0.223
local terms energy: -301.126059
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -53.219
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -44.440
tors. eta vs tors. theta energy: -84.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -710.395259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.395259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.395259 (E_RNA)
where:
Base-Base interactions energy: -461.021
where: short stacking energy: -215.766
Base-Backbone interact. energy: 0.616
local terms energy: -249.990808
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -62.526
flat angles C4'-P-C4' energy: -57.751
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -40.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -614.195715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.195715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.195715 (E_RNA)
where:
Base-Base interactions energy: -395.522
where: short stacking energy: -211.231
Base-Backbone interact. energy: 0.137
local terms energy: -218.810309
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -44.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -683.253257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.253257 (E_RNA)
where:
Base-Base interactions energy: -450.174
where: short stacking energy: -200.256
Base-Backbone interact. energy: -1.433
local terms energy: -231.645689
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -50.403
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -391.535198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.535198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.535198 (E_RNA)
where:
Base-Base interactions energy: -191.039
where: short stacking energy: -104.401
Base-Backbone interact. energy: 0.194
local terms energy: -200.689793
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -57.328
flat angles C4'-P-C4' energy: -44.790
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1131.226086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.226086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.226086 (E_RNA)
where:
Base-Base interactions energy: -801.830
where: short stacking energy: -329.439
Base-Backbone interact. energy: -1.046
local terms energy: -328.350073
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -61.331
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -46.690
tors. eta vs tors. theta energy: -89.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1091.743128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.743128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.743128 (E_RNA)
where:
Base-Base interactions energy: -774.184
where: short stacking energy: -326.970
Base-Backbone interact. energy: 1.002
local terms energy: -318.561527
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -62.878
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -48.292
tors. eta vs tors. theta energy: -87.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1011.549539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.549539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.549539 (E_RNA)
where:
Base-Base interactions energy: -688.795
where: short stacking energy: -299.329
Base-Backbone interact. energy: -0.945
local terms energy: -321.809911
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -60.884
flat angles C4'-P-C4' energy: -66.441
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -88.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -974.483246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.483246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.483246 (E_RNA)
where:
Base-Base interactions energy: -683.361
where: short stacking energy: -299.076
Base-Backbone interact. energy: -0.406
local terms energy: -290.716665
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -62.219
flat angles P-C4'-P energy: -41.907
tors. eta vs tors. theta energy: -76.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -901.583431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.583431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.583431 (E_RNA)
where:
Base-Base interactions energy: -629.509
where: short stacking energy: -277.615
Base-Backbone interact. energy: 0.371
local terms energy: -272.445379
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -52.760
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: -79.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -941.562213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.562213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.562213 (E_RNA)
where:
Base-Base interactions energy: -651.418
where: short stacking energy: -293.530
Base-Backbone interact. energy: -0.965
local terms energy: -289.179252
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -52.209
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -39.793
tors. eta vs tors. theta energy: -83.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -711.506673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.506673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.506673 (E_RNA)
where:
Base-Base interactions energy: -472.052
where: short stacking energy: -217.932
Base-Backbone interact. energy: -1.226
local terms energy: -238.228691
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -59.006
flat angles C4'-P-C4' energy: -57.181
flat angles P-C4'-P energy: -33.615
tors. eta vs tors. theta energy: -47.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -628.841105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.841105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.841105 (E_RNA)
where:
Base-Base interactions energy: -379.697
where: short stacking energy: -181.367
Base-Backbone interact. energy: -1.183
local terms energy: -247.961334
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -62.364
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -44.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -681.180745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.180745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.180745 (E_RNA)
where:
Base-Base interactions energy: -452.080
where: short stacking energy: -198.309
Base-Backbone interact. energy: -0.979
local terms energy: -228.121831
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -51.115
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -34.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -366.779602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.779602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.779602 (E_RNA)
where:
Base-Base interactions energy: -189.287
where: short stacking energy: -123.242
Base-Backbone interact. energy: -0.699
local terms energy: -176.793550
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -57.990
flat angles C4'-P-C4' energy: -46.599
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1115.136222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.136222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.136222 (E_RNA)
where:
Base-Base interactions energy: -789.752
where: short stacking energy: -335.158
Base-Backbone interact. energy: -1.922
local terms energy: -323.461704
where:
bonds (distance) C4'-P energy: -66.501
bonds (distance) P-C4' energy: -67.007
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -89.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1089.851849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.851849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.851849 (E_RNA)
where:
Base-Base interactions energy: -779.304
where: short stacking energy: -319.833
Base-Backbone interact. energy: 0.313
local terms energy: -310.860931
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -61.798
flat angles C4'-P-C4' energy: -68.206
flat angles P-C4'-P energy: -43.521
tors. eta vs tors. theta energy: -87.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1021.751269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.751269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.751269 (E_RNA)
where:
Base-Base interactions energy: -703.073
where: short stacking energy: -293.318
Base-Backbone interact. energy: -0.048
local terms energy: -318.629809
where:
bonds (distance) C4'-P energy: -54.787
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -75.189
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -83.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -945.747951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.747951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.747951 (E_RNA)
where:
Base-Base interactions energy: -652.706
where: short stacking energy: -269.023
Base-Backbone interact. energy: -1.236
local terms energy: -291.805994
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -62.479
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -67.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -893.962552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.962552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.962552 (E_RNA)
where:
Base-Base interactions energy: -597.090
where: short stacking energy: -266.333
Base-Backbone interact. energy: -0.489
local terms energy: -296.383406
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -63.084
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -81.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -940.278823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.278823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.278823 (E_RNA)
where:
Base-Base interactions energy: -682.942
where: short stacking energy: -291.334
Base-Backbone interact. energy: -1.330
local terms energy: -256.006072
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -43.557
flat angles C4'-P-C4' energy: -62.453
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -77.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -733.754299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.754299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.754299 (E_RNA)
where:
Base-Base interactions energy: -503.129
where: short stacking energy: -216.918
Base-Backbone interact. energy: -2.964
local terms energy: -227.661010
where:
bonds (distance) C4'-P energy: -52.891
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -53.076
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -42.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -728.030147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.030147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.030147 (E_RNA)
where:
Base-Base interactions energy: -471.852
where: short stacking energy: -212.036
Base-Backbone interact. energy: -1.888
local terms energy: -254.289750
where:
bonds (distance) C4'-P energy: -56.208
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -56.161
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -51.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -585.458836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.458836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.458836 (E_RNA)
where:
Base-Base interactions energy: -372.533
where: short stacking energy: -168.280
Base-Backbone interact. energy: -2.405
local terms energy: -210.520530
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -64.418
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -28.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -382.581092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.581092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.581092 (E_RNA)
where:
Base-Base interactions energy: -216.344
where: short stacking energy: -120.796
Base-Backbone interact. energy: -0.533
local terms energy: -165.704020
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -47.755
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1138.658235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.658235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.658235 (E_RNA)
where:
Base-Base interactions energy: -801.376
where: short stacking energy: -339.696
Base-Backbone interact. energy: 0.641
local terms energy: -337.923707
where:
bonds (distance) C4'-P energy: -60.510
bonds (distance) P-C4' energy: -64.194
flat angles C4'-P-C4' energy: -70.025
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -97.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1084.867004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.867004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.867004 (E_RNA)
where:
Base-Base interactions energy: -780.496
where: short stacking energy: -319.703
Base-Backbone interact. energy: -1.660
local terms energy: -302.710427
where:
bonds (distance) C4'-P energy: -52.365
bonds (distance) P-C4' energy: -60.334
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -86.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1040.179348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.179348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.179348 (E_RNA)
where:
Base-Base interactions energy: -718.515
where: short stacking energy: -311.276
Base-Backbone interact. energy: -0.829
local terms energy: -320.834501
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -91.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -952.874665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.874665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.874665 (E_RNA)
where:
Base-Base interactions energy: -657.256
where: short stacking energy: -280.075
Base-Backbone interact. energy: -0.300
local terms energy: -295.319191
where:
bonds (distance) C4'-P energy: -50.830
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -50.200
tors. eta vs tors. theta energy: -66.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -957.759639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.759639 (E_RNA)
where:
Base-Base interactions energy: -644.321
where: short stacking energy: -270.803
Base-Backbone interact. energy: -1.378
local terms energy: -312.061310
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -60.945
flat angles C4'-P-C4' energy: -68.248
flat angles P-C4'-P energy: -46.806
tors. eta vs tors. theta energy: -67.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -868.843152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.843152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.843152 (E_RNA)
where:
Base-Base interactions energy: -591.923
where: short stacking energy: -268.846
Base-Backbone interact. energy: 1.718
local terms energy: -278.638256
where:
bonds (distance) C4'-P energy: -48.664
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: -76.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -745.040171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.040171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.040171 (E_RNA)
where:
Base-Base interactions energy: -494.157
where: short stacking energy: -213.010
Base-Backbone interact. energy: -1.695
local terms energy: -249.187924
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -68.719
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -47.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -711.055714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.055714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.055714 (E_RNA)
where:
Base-Base interactions energy: -455.872
where: short stacking energy: -204.639
Base-Backbone interact. energy: -3.796
local terms energy: -251.388589
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -53.873
flat angles C4'-P-C4' energy: -50.651
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -50.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -638.954096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.954096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.954096 (E_RNA)
where:
Base-Base interactions energy: -396.981
where: short stacking energy: -195.865
Base-Backbone interact. energy: -3.623
local terms energy: -238.350492
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -51.726
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -38.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -402.254257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.254257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.254257 (E_RNA)
where:
Base-Base interactions energy: -217.713
where: short stacking energy: -131.027
Base-Backbone interact. energy: -1.282
local terms energy: -183.258723
where:
bonds (distance) C4'-P energy: -57.142
bonds (distance) P-C4' energy: -45.377
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1119.091620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.091620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.091620 (E_RNA)
where:
Base-Base interactions energy: -782.665
where: short stacking energy: -343.073
Base-Backbone interact. energy: -1.805
local terms energy: -334.622288
where:
bonds (distance) C4'-P energy: -62.881
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -72.735
flat angles P-C4'-P energy: -42.564
tors. eta vs tors. theta energy: -94.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1077.502081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.502081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.502081 (E_RNA)
where:
Base-Base interactions energy: -767.698
where: short stacking energy: -322.833
Base-Backbone interact. energy: -2.035
local terms energy: -307.769373
where:
bonds (distance) C4'-P energy: -57.023
bonds (distance) P-C4' energy: -54.077
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -87.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1017.863971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.863971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.863971 (E_RNA)
where:
Base-Base interactions energy: -706.089
where: short stacking energy: -302.693
Base-Backbone interact. energy: 4.053
local terms energy: -315.827846
where:
bonds (distance) C4'-P energy: -66.849
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -84.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -986.478699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.478699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.478699 (E_RNA)
where:
Base-Base interactions energy: -689.741
where: short stacking energy: -297.463
Base-Backbone interact. energy: 1.422
local terms energy: -298.160222
where:
bonds (distance) C4'-P energy: -57.876
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -64.231
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -84.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -920.058598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.058598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.058598 (E_RNA)
where:
Base-Base interactions energy: -642.501
where: short stacking energy: -262.482
Base-Backbone interact. energy: -1.026
local terms energy: -276.531338
where:
bonds (distance) C4'-P energy: -63.802
bonds (distance) P-C4' energy: -54.269
flat angles C4'-P-C4' energy: -58.412
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -66.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -881.992785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.992785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.992785 (E_RNA)
where:
Base-Base interactions energy: -615.007
where: short stacking energy: -265.643
Base-Backbone interact. energy: -1.078
local terms energy: -265.907385
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -70.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -717.538310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.538310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.538310 (E_RNA)
where:
Base-Base interactions energy: -493.972
where: short stacking energy: -226.656
Base-Backbone interact. energy: 0.082
local terms energy: -223.648256
where:
bonds (distance) C4'-P energy: -41.884
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -52.181
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: -48.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -708.675877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.675877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.675877 (E_RNA)
where:
Base-Base interactions energy: -457.149
where: short stacking energy: -198.507
Base-Backbone interact. energy: -2.099
local terms energy: -249.427223
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -59.853
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -49.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -605.404812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.404812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.404812 (E_RNA)
where:
Base-Base interactions energy: -377.950
where: short stacking energy: -179.273
Base-Backbone interact. energy: -1.786
local terms energy: -225.668061
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -408.449421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.449421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.449421 (E_RNA)
where:
Base-Base interactions energy: -221.392
where: short stacking energy: -118.421
Base-Backbone interact. energy: 1.423
local terms energy: -188.479986
where:
bonds (distance) C4'-P energy: -59.787
bonds (distance) P-C4' energy: -41.873
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -33.170
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1099.931082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.931082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.931082 (E_RNA)
where:
Base-Base interactions energy: -774.437
where: short stacking energy: -336.849
Base-Backbone interact. energy: 0.022
local terms energy: -325.516104
where:
bonds (distance) C4'-P energy: -63.977
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -64.416
flat angles P-C4'-P energy: -41.505
tors. eta vs tors. theta energy: -93.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1070.619523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.619523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.619523 (E_RNA)
where:
Base-Base interactions energy: -763.955
where: short stacking energy: -324.974
Base-Backbone interact. energy: -1.701
local terms energy: -304.963226
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -54.104
flat angles C4'-P-C4' energy: -69.361
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -90.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1005.878986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.878986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.878986 (E_RNA)
where:
Base-Base interactions energy: -707.918
where: short stacking energy: -293.591
Base-Backbone interact. energy: -0.827
local terms energy: -297.133977
where:
bonds (distance) C4'-P energy: -56.597
bonds (distance) P-C4' energy: -58.120
flat angles C4'-P-C4' energy: -71.364
flat angles P-C4'-P energy: -32.707
tors. eta vs tors. theta energy: -78.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -978.876355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.876355 (E_RNA)
where:
Base-Base interactions energy: -675.664
where: short stacking energy: -294.006
Base-Backbone interact. energy: -0.698
local terms energy: -302.514471
where:
bonds (distance) C4'-P energy: -63.269
bonds (distance) P-C4' energy: -56.277
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -41.955
tors. eta vs tors. theta energy: -80.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -882.389124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.389124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.389124 (E_RNA)
where:
Base-Base interactions energy: -611.089
where: short stacking energy: -267.981
Base-Backbone interact. energy: -1.996
local terms energy: -269.304016
where:
bonds (distance) C4'-P energy: -50.935
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: -74.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -892.116300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.116300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.116300 (E_RNA)
where:
Base-Base interactions energy: -628.253
where: short stacking energy: -272.516
Base-Backbone interact. energy: -0.638
local terms energy: -263.224971
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -56.521
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -68.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -755.939231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.939231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.939231 (E_RNA)
where:
Base-Base interactions energy: -499.911
where: short stacking energy: -218.678
Base-Backbone interact. energy: -2.042
local terms energy: -253.986730
where:
bonds (distance) C4'-P energy: -44.885
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -43.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -722.872328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.872328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.872328 (E_RNA)
where:
Base-Base interactions energy: -444.252
where: short stacking energy: -208.982
Base-Backbone interact. energy: -0.753
local terms energy: -277.866417
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -42.933
tors. eta vs tors. theta energy: -56.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -577.132810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.132810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.132810 (E_RNA)
where:
Base-Base interactions energy: -337.460
where: short stacking energy: -150.890
Base-Backbone interact. energy: -0.194
local terms energy: -239.479211
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -65.568
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -28.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -422.455386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.455386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.455386 (E_RNA)
where:
Base-Base interactions energy: -236.790
where: short stacking energy: -134.559
Base-Backbone interact. energy: -0.469
local terms energy: -185.195654
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -54.251
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1109.276329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.276329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.276329 (E_RNA)
where:
Base-Base interactions energy: -777.869
where: short stacking energy: -332.653
Base-Backbone interact. energy: -2.522
local terms energy: -328.885475
where:
bonds (distance) C4'-P energy: -60.288
bonds (distance) P-C4' energy: -58.785
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -98.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1100.570230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.570230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.570230 (E_RNA)
where:
Base-Base interactions energy: -771.490
where: short stacking energy: -315.984
Base-Backbone interact. energy: -0.378
local terms energy: -328.702192
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -60.948
flat angles C4'-P-C4' energy: -71.298
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -87.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1033.441573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.441573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.441573 (E_RNA)
where:
Base-Base interactions energy: -729.629
where: short stacking energy: -295.426
Base-Backbone interact. energy: 3.424
local terms energy: -307.236636
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: -88.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -976.146322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.146322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.146322 (E_RNA)
where:
Base-Base interactions energy: -670.133
where: short stacking energy: -300.771
Base-Backbone interact. energy: -0.366
local terms energy: -305.647500
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -63.070
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -39.754
tors. eta vs tors. theta energy: -83.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -902.468110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.468110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.468110 (E_RNA)
where:
Base-Base interactions energy: -620.939
where: short stacking energy: -272.773
Base-Backbone interact. energy: 0.147
local terms energy: -281.676279
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -59.287
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -80.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -889.739247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.739247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.739247 (E_RNA)
where:
Base-Base interactions energy: -612.664
where: short stacking energy: -259.713
Base-Backbone interact. energy: -0.610
local terms energy: -276.465963
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -60.417
flat angles P-C4'-P energy: -39.940
tors. eta vs tors. theta energy: -60.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -689.058591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.058591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.058591 (E_RNA)
where:
Base-Base interactions energy: -452.274
where: short stacking energy: -199.744
Base-Backbone interact. energy: -0.923
local terms energy: -235.862063
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -723.859351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.859351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.859351 (E_RNA)
where:
Base-Base interactions energy: -482.299
where: short stacking energy: -221.100
Base-Backbone interact. energy: -1.135
local terms energy: -240.425794
where:
bonds (distance) C4'-P energy: -38.763
bonds (distance) P-C4' energy: -62.635
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -54.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -595.387292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.387292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.387292 (E_RNA)
where:
Base-Base interactions energy: -377.579
where: short stacking energy: -164.138
Base-Backbone interact. energy: -0.652
local terms energy: -217.155907
where:
bonds (distance) C4'-P energy: -43.536
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -400.119101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.119101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.119101 (E_RNA)
where:
Base-Base interactions energy: -212.509
where: short stacking energy: -123.483
Base-Backbone interact. energy: 1.445
local terms energy: -189.054553
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -61.399
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1095.290310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.290310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.290310 (E_RNA)
where:
Base-Base interactions energy: -775.212
where: short stacking energy: -336.693
Base-Backbone interact. energy: 1.083
local terms energy: -321.161010
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -65.320
flat angles C4'-P-C4' energy: -72.706
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -90.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1089.937244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.937244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.937244 (E_RNA)
where:
Base-Base interactions energy: -762.617
where: short stacking energy: -312.213
Base-Backbone interact. energy: -2.081
local terms energy: -325.239492
where:
bonds (distance) C4'-P energy: -65.342
bonds (distance) P-C4' energy: -67.743
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -40.917
tors. eta vs tors. theta energy: -83.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1050.480806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.480806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.480806 (E_RNA)
where:
Base-Base interactions energy: -761.333
where: short stacking energy: -300.244
Base-Backbone interact. energy: -1.346
local terms energy: -287.801460
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -68.207
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -77.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -979.655942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.655942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.655942 (E_RNA)
where:
Base-Base interactions energy: -675.761
where: short stacking energy: -287.640
Base-Backbone interact. energy: -2.517
local terms energy: -301.378028
where:
bonds (distance) C4'-P energy: -62.526
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -64.162
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -80.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -901.667361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.667361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.667361 (E_RNA)
where:
Base-Base interactions energy: -617.192
where: short stacking energy: -264.482
Base-Backbone interact. energy: -0.664
local terms energy: -283.811585
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -50.259
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -900.245912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.245912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.245912 (E_RNA)
where:
Base-Base interactions energy: -638.603
where: short stacking energy: -265.162
Base-Backbone interact. energy: -0.620
local terms energy: -261.023291
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -69.068
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -62.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -753.797297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.797297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.797297 (E_RNA)
where:
Base-Base interactions energy: -489.961
where: short stacking energy: -220.840
Base-Backbone interact. energy: -1.609
local terms energy: -262.227495
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -59.812
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -37.074
tors. eta vs tors. theta energy: -53.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -658.532185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.532185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.532185 (E_RNA)
where:
Base-Base interactions energy: -412.589
where: short stacking energy: -189.420
Base-Backbone interact. energy: -0.775
local terms energy: -245.168475
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -521.103986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.103986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.103986 (E_RNA)
where:
Base-Base interactions energy: -341.948
where: short stacking energy: -157.886
Base-Backbone interact. energy: -0.831
local terms energy: -178.325033
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -31.956
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -434.120488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.120488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.120488 (E_RNA)
where:
Base-Base interactions energy: -230.648
where: short stacking energy: -116.992
Base-Backbone interact. energy: 0.048
local terms energy: -203.520521
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1112.809284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.809284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.809284 (E_RNA)
where:
Base-Base interactions energy: -793.899
where: short stacking energy: -335.339
Base-Backbone interact. energy: -0.756
local terms energy: -318.154134
where:
bonds (distance) C4'-P energy: -52.841
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: -92.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1100.848890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.848890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.848890 (E_RNA)
where:
Base-Base interactions energy: -768.706
where: short stacking energy: -319.017
Base-Backbone interact. energy: -0.600
local terms energy: -331.542372
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -60.884
flat angles C4'-P-C4' energy: -68.059
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -96.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1033.309761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.309761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.309761 (E_RNA)
where:
Base-Base interactions energy: -725.704
where: short stacking energy: -313.173
Base-Backbone interact. energy: -0.548
local terms energy: -307.058247
where:
bonds (distance) C4'-P energy: -53.934
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -93.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -999.699255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.699255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.699255 (E_RNA)
where:
Base-Base interactions energy: -701.164
where: short stacking energy: -290.517
Base-Backbone interact. energy: -0.991
local terms energy: -297.544113
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -67.429
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -88.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -911.373918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.373918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.373918 (E_RNA)
where:
Base-Base interactions energy: -630.257
where: short stacking energy: -285.051
Base-Backbone interact. energy: 1.133
local terms energy: -282.249181
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -42.556
tors. eta vs tors. theta energy: -73.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -940.672982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.672982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.672982 (E_RNA)
where:
Base-Base interactions energy: -652.192
where: short stacking energy: -278.815
Base-Backbone interact. energy: -2.421
local terms energy: -286.059926
where:
bonds (distance) C4'-P energy: -46.341
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -67.323
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -73.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -749.567459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.567459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.567459 (E_RNA)
where:
Base-Base interactions energy: -506.551
where: short stacking energy: -215.639
Base-Backbone interact. energy: -1.633
local terms energy: -241.383821
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -73.193
flat angles C4'-P-C4' energy: -50.600
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -667.394405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.394405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.394405 (E_RNA)
where:
Base-Base interactions energy: -450.876
where: short stacking energy: -210.742
Base-Backbone interact. energy: -0.853
local terms energy: -215.665438
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -42.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -524.490731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.490731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.490731 (E_RNA)
where:
Base-Base interactions energy: -332.521
where: short stacking energy: -166.157
Base-Backbone interact. energy: -1.515
local terms energy: -190.454747
where:
bonds (distance) C4'-P energy: -46.081
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -412.339168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.339168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.339168 (E_RNA)
where:
Base-Base interactions energy: -222.747
where: short stacking energy: -119.160
Base-Backbone interact. energy: 3.664
local terms energy: -193.255328
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -41.392
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1102.334632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.334632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.334632 (E_RNA)
where:
Base-Base interactions energy: -779.111
where: short stacking energy: -336.435
Base-Backbone interact. energy: -0.973
local terms energy: -322.251462
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -90.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1093.117782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.117782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.117782 (E_RNA)
where:
Base-Base interactions energy: -767.285
where: short stacking energy: -316.111
Base-Backbone interact. energy: -2.657
local terms energy: -323.175522
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -89.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1028.552375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.552375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.552375 (E_RNA)
where:
Base-Base interactions energy: -717.522
where: short stacking energy: -306.628
Base-Backbone interact. energy: -0.764
local terms energy: -310.266390
where:
bonds (distance) C4'-P energy: -54.298
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -92.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -993.224308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.224308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.224308 (E_RNA)
where:
Base-Base interactions energy: -678.155
where: short stacking energy: -297.178
Base-Backbone interact. energy: -0.913
local terms energy: -314.156311
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -64.339
flat angles C4'-P-C4' energy: -68.913
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -86.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -930.115739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.115739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.115739 (E_RNA)
where:
Base-Base interactions energy: -662.959
where: short stacking energy: -262.173
Base-Backbone interact. energy: 2.711
local terms energy: -269.867478
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: -66.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -887.379305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.379305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.379305 (E_RNA)
where:
Base-Base interactions energy: -615.253
where: short stacking energy: -251.025
Base-Backbone interact. energy: -1.292
local terms energy: -270.834423
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -52.066
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -36.064
tors. eta vs tors. theta energy: -67.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -747.322115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.322115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.322115 (E_RNA)
where:
Base-Base interactions energy: -492.789
where: short stacking energy: -219.267
Base-Backbone interact. energy: -0.894
local terms energy: -253.639411
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -61.111
flat angles C4'-P-C4' energy: -55.384
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -48.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -719.533077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.533077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.533077 (E_RNA)
where:
Base-Base interactions energy: -487.121
where: short stacking energy: -213.198
Base-Backbone interact. energy: -0.382
local terms energy: -232.030003
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -44.942
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -538.073384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.073384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.073384 (E_RNA)
where:
Base-Base interactions energy: -318.400
where: short stacking energy: -161.403
Base-Backbone interact. energy: -0.239
local terms energy: -219.434590
where:
bonds (distance) C4'-P energy: -55.652
bonds (distance) P-C4' energy: -55.014
flat angles C4'-P-C4' energy: -55.250
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -481.372884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.372884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.372884 (E_RNA)
where:
Base-Base interactions energy: -297.552
where: short stacking energy: -151.642
Base-Backbone interact. energy: -0.571
local terms energy: -183.249447
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1094.474302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.474302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.474302 (E_RNA)
where:
Base-Base interactions energy: -766.644
where: short stacking energy: -323.411
Base-Backbone interact. energy: 3.261
local terms energy: -331.090959
where:
bonds (distance) C4'-P energy: -62.236
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -48.300
tors. eta vs tors. theta energy: -95.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1051.164108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.164108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.164108 (E_RNA)
where:
Base-Base interactions energy: -730.663
where: short stacking energy: -300.534
Base-Backbone interact. energy: 2.052
local terms energy: -322.552323
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -67.205
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -91.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1077.809475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.809475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.809475 (E_RNA)
where:
Base-Base interactions energy: -758.693
where: short stacking energy: -310.117
Base-Backbone interact. energy: -0.045
local terms energy: -319.071472
where:
bonds (distance) C4'-P energy: -60.305
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1002.294002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.294002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.294002 (E_RNA)
where:
Base-Base interactions energy: -700.951
where: short stacking energy: -307.195
Base-Backbone interact. energy: -1.197
local terms energy: -300.146185
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -86.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -941.417949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.417949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.417949 (E_RNA)
where:
Base-Base interactions energy: -654.579
where: short stacking energy: -271.781
Base-Backbone interact. energy: -2.454
local terms energy: -284.384745
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -52.391
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -71.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -886.449135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.449135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.449135 (E_RNA)
where:
Base-Base interactions energy: -611.742
where: short stacking energy: -266.656
Base-Backbone interact. energy: -1.329
local terms energy: -273.378723
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -70.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -739.476908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.476908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.476908 (E_RNA)
where:
Base-Base interactions energy: -470.067
where: short stacking energy: -206.311
Base-Backbone interact. energy: -0.001
local terms energy: -269.409014
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -57.877
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -50.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -736.187488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.187488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.187488 (E_RNA)
where:
Base-Base interactions energy: -478.408
where: short stacking energy: -202.657
Base-Backbone interact. energy: -1.363
local terms energy: -256.416825
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -53.452
flat angles C4'-P-C4' energy: -61.053
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -45.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -517.475722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.475722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.475722 (E_RNA)
where:
Base-Base interactions energy: -304.951
where: short stacking energy: -160.225
Base-Backbone interact. energy: -0.399
local terms energy: -212.125720
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -57.621
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -472.343089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.343089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.343089 (E_RNA)
where:
Base-Base interactions energy: -266.283
where: short stacking energy: -128.808
Base-Backbone interact. energy: -1.978
local terms energy: -204.082305
where:
bonds (distance) C4'-P energy: -47.895
bonds (distance) P-C4' energy: -53.262
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1095.523364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.523364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.523364 (E_RNA)
where:
Base-Base interactions energy: -766.796
where: short stacking energy: -327.550
Base-Backbone interact. energy: 2.837
local terms energy: -331.563711
where:
bonds (distance) C4'-P energy: -61.582
bonds (distance) P-C4' energy: -61.661
flat angles C4'-P-C4' energy: -70.697
flat angles P-C4'-P energy: -46.918
tors. eta vs tors. theta energy: -90.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1055.347793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.347793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.347793 (E_RNA)
where:
Base-Base interactions energy: -731.397
where: short stacking energy: -304.932
Base-Backbone interact. energy: -1.937
local terms energy: -322.013382
where:
bonds (distance) C4'-P energy: -60.102
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -86.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1065.225513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.225513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.225513 (E_RNA)
where:
Base-Base interactions energy: -751.887
where: short stacking energy: -308.534
Base-Backbone interact. energy: -0.846
local terms energy: -312.492566
where:
bonds (distance) C4'-P energy: -58.533
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -63.670
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -80.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -995.489272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.489272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.489272 (E_RNA)
where:
Base-Base interactions energy: -687.950
where: short stacking energy: -292.664
Base-Backbone interact. energy: 1.292
local terms energy: -308.830809
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -48.205
flat angles C4'-P-C4' energy: -66.123
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -83.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -916.073625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.073625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.073625 (E_RNA)
where:
Base-Base interactions energy: -644.906
where: short stacking energy: -283.051
Base-Backbone interact. energy: -0.397
local terms energy: -270.770380
where:
bonds (distance) C4'-P energy: -53.954
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -54.542
flat angles P-C4'-P energy: -39.338
tors. eta vs tors. theta energy: -73.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -907.648000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.648000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.648000 (E_RNA)
where:
Base-Base interactions energy: -621.837
where: short stacking energy: -271.917
Base-Backbone interact. energy: -0.736
local terms energy: -285.074914
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -60.015
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -78.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -716.485361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.485361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.485361 (E_RNA)
where:
Base-Base interactions energy: -446.653
where: short stacking energy: -202.216
Base-Backbone interact. energy: -1.245
local terms energy: -268.587005
where:
bonds (distance) C4'-P energy: -57.780
bonds (distance) P-C4' energy: -58.817
flat angles C4'-P-C4' energy: -68.272
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -47.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -660.681243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.681243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.681243 (E_RNA)
where:
Base-Base interactions energy: -447.209
where: short stacking energy: -181.804
Base-Backbone interact. energy: 0.857
local terms energy: -214.329245
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -48.066
flat angles P-C4'-P energy: -30.728
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -567.176332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.176332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.176332 (E_RNA)
where:
Base-Base interactions energy: -351.480
where: short stacking energy: -167.572
Base-Backbone interact. energy: -0.891
local terms energy: -214.805820
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -38.874
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -38.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -468.190155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.190155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.190155 (E_RNA)
where:
Base-Base interactions energy: -259.710
where: short stacking energy: -131.777
Base-Backbone interact. energy: -1.098
local terms energy: -207.381662
where:
bonds (distance) C4'-P energy: -57.335
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -48.883
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -26.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1102.736857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.736857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.736857 (E_RNA)
where:
Base-Base interactions energy: -793.305
where: short stacking energy: -342.966
Base-Backbone interact. energy: -1.157
local terms energy: -308.274480
where:
bonds (distance) C4'-P energy: -54.965
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -33.774
tors. eta vs tors. theta energy: -98.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1087.969897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.969897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.969897 (E_RNA)
where:
Base-Base interactions energy: -772.292
where: short stacking energy: -319.339
Base-Backbone interact. energy: -1.290
local terms energy: -314.387361
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -71.883
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -86.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1062.695742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.695742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.695742 (E_RNA)
where:
Base-Base interactions energy: -743.076
where: short stacking energy: -318.531
Base-Backbone interact. energy: -1.329
local terms energy: -318.290251
where:
bonds (distance) C4'-P energy: -62.010
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -69.607
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -87.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1010.264721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.264721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.264721 (E_RNA)
where:
Base-Base interactions energy: -718.255
where: short stacking energy: -309.191
Base-Backbone interact. energy: -1.056
local terms energy: -290.953661
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -54.377
flat angles C4'-P-C4' energy: -63.334
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -82.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -930.130925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.130925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.130925 (E_RNA)
where:
Base-Base interactions energy: -647.202
where: short stacking energy: -274.388
Base-Backbone interact. energy: -0.690
local terms energy: -282.238480
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -63.694
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -71.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -877.493719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.493719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.493719 (E_RNA)
where:
Base-Base interactions energy: -602.528
where: short stacking energy: -268.105
Base-Backbone interact. energy: -2.461
local terms energy: -272.504417
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -71.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -771.090668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.090668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.090668 (E_RNA)
where:
Base-Base interactions energy: -519.282
where: short stacking energy: -219.359
Base-Backbone interact. energy: -1.375
local terms energy: -250.434109
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -50.396
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -35.267
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -726.364509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.364509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.364509 (E_RNA)
where:
Base-Base interactions energy: -495.615
where: short stacking energy: -237.539
Base-Backbone interact. energy: -0.374
local terms energy: -230.375275
where:
bonds (distance) C4'-P energy: -43.622
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -535.221165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.221165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.221165 (E_RNA)
where:
Base-Base interactions energy: -317.721
where: short stacking energy: -152.463
Base-Backbone interact. energy: 3.361
local terms energy: -220.860876
where:
bonds (distance) C4'-P energy: -54.843
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -49.334
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -502.869156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.869156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.869156 (E_RNA)
where:
Base-Base interactions energy: -286.837
where: short stacking energy: -141.532
Base-Backbone interact. energy: 2.028
local terms energy: -218.059881
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1121.715944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.715944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.715944 (E_RNA)
where:
Base-Base interactions energy: -796.831
where: short stacking energy: -327.192
Base-Backbone interact. energy: 3.008
local terms energy: -327.893079
where:
bonds (distance) C4'-P energy: -61.958
bonds (distance) P-C4' energy: -62.539
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -91.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1083.646433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.646433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.646433 (E_RNA)
where:
Base-Base interactions energy: -765.787
where: short stacking energy: -338.623
Base-Backbone interact. energy: -1.042
local terms energy: -316.817899
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -92.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1067.735017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.735017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.735017 (E_RNA)
where:
Base-Base interactions energy: -757.700
where: short stacking energy: -320.548
Base-Backbone interact. energy: 1.809
local terms energy: -311.844011
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -92.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1009.020859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.020859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.020859 (E_RNA)
where:
Base-Base interactions energy: -691.952
where: short stacking energy: -305.459
Base-Backbone interact. energy: -1.925
local terms energy: -315.144236
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -60.022
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -92.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -937.256322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.256322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.256322 (E_RNA)
where:
Base-Base interactions energy: -638.811
where: short stacking energy: -279.213
Base-Backbone interact. energy: -1.648
local terms energy: -296.797848
where:
bonds (distance) C4'-P energy: -48.350
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -69.858
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -83.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -890.200700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.200700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.200700 (E_RNA)
where:
Base-Base interactions energy: -623.010
where: short stacking energy: -268.770
Base-Backbone interact. energy: 0.326
local terms energy: -267.516060
where:
bonds (distance) C4'-P energy: -41.070
bonds (distance) P-C4' energy: -52.634
flat angles C4'-P-C4' energy: -61.354
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -70.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -762.912338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.912338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.912338 (E_RNA)
where:
Base-Base interactions energy: -502.369
where: short stacking energy: -226.554
Base-Backbone interact. energy: 0.219
local terms energy: -260.763035
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -60.235
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -58.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -789.163657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.163657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.163657 (E_RNA)
where:
Base-Base interactions energy: -535.290
where: short stacking energy: -228.041
Base-Backbone interact. energy: -0.645
local terms energy: -253.228726
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -57.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -535.789620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.789620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.789620 (E_RNA)
where:
Base-Base interactions energy: -339.228
where: short stacking energy: -142.952
Base-Backbone interact. energy: -1.617
local terms energy: -194.944321
where:
bonds (distance) C4'-P energy: -47.464
bonds (distance) P-C4' energy: -55.596
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -36.290
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -456.788623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.788623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.788623 (E_RNA)
where:
Base-Base interactions energy: -281.864
where: short stacking energy: -114.919
Base-Backbone interact. energy: 2.559
local terms energy: -177.483149
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -47.280
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1134.951469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.951469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.951469 (E_RNA)
where:
Base-Base interactions energy: -802.437
where: short stacking energy: -326.556
Base-Backbone interact. energy: 2.337
local terms energy: -334.851683
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -70.501
flat angles P-C4'-P energy: -45.963
tors. eta vs tors. theta energy: -93.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1065.815608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.815608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.815608 (E_RNA)
where:
Base-Base interactions energy: -748.295
where: short stacking energy: -321.717
Base-Backbone interact. energy: -0.816
local terms energy: -316.704733
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -71.718
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: -91.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1049.604713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.604713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.604713 (E_RNA)
where:
Base-Base interactions energy: -750.452
where: short stacking energy: -319.077
Base-Backbone interact. energy: -1.404
local terms energy: -297.748461
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -63.721
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -85.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1028.687445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.687445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.687445 (E_RNA)
where:
Base-Base interactions energy: -705.904
where: short stacking energy: -300.249
Base-Backbone interact. energy: -1.100
local terms energy: -321.683675
where:
bonds (distance) C4'-P energy: -58.764
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -66.535
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: -86.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -925.399920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.399920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.399920 (E_RNA)
where:
Base-Base interactions energy: -611.628
where: short stacking energy: -287.502
Base-Backbone interact. energy: -0.603
local terms energy: -313.169026
where:
bonds (distance) C4'-P energy: -53.863
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -67.088
flat angles P-C4'-P energy: -48.955
tors. eta vs tors. theta energy: -88.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -904.611604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.611604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.611604 (E_RNA)
where:
Base-Base interactions energy: -628.317
where: short stacking energy: -275.806
Base-Backbone interact. energy: 4.425
local terms energy: -280.719873
where:
bonds (distance) C4'-P energy: -55.923
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -53.741
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -72.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -756.005186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.005186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.005186 (E_RNA)
where:
Base-Base interactions energy: -519.238
where: short stacking energy: -241.638
Base-Backbone interact. energy: -0.874
local terms energy: -235.893142
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -49.103
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -53.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -780.987708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.987708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.987708 (E_RNA)
where:
Base-Base interactions energy: -534.669
where: short stacking energy: -216.936
Base-Backbone interact. energy: -0.908
local terms energy: -245.410186
where:
bonds (distance) C4'-P energy: -51.780
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -53.677
flat angles P-C4'-P energy: -34.510
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -603.008031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.008031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.008031 (E_RNA)
where:
Base-Base interactions energy: -403.062
where: short stacking energy: -179.468
Base-Backbone interact. energy: -0.819
local terms energy: -199.127658
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -54.290
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -434.796824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.796824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.796824 (E_RNA)
where:
Base-Base interactions energy: -260.712
where: short stacking energy: -122.143
Base-Backbone interact. energy: -1.086
local terms energy: -172.998789
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -42.093
flat angles C4'-P-C4' energy: -53.125
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1137.868403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.868403 (E_RNA)
where:
Base-Base interactions energy: -805.028
where: short stacking energy: -334.028
Base-Backbone interact. energy: 1.821
local terms energy: -334.660673
where:
bonds (distance) C4'-P energy: -63.720
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -93.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1053.408599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.408599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.408599 (E_RNA)
where:
Base-Base interactions energy: -726.797
where: short stacking energy: -309.592
Base-Backbone interact. energy: -1.090
local terms energy: -325.521717
where:
bonds (distance) C4'-P energy: -62.243
bonds (distance) P-C4' energy: -63.041
flat angles C4'-P-C4' energy: -71.139
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -80.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1077.802093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.802093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.802093 (E_RNA)
where:
Base-Base interactions energy: -751.787
where: short stacking energy: -319.824
Base-Backbone interact. energy: -0.378
local terms energy: -325.637101
where:
bonds (distance) C4'-P energy: -54.354
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -72.183
flat angles P-C4'-P energy: -48.418
tors. eta vs tors. theta energy: -93.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -983.379020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.379020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.379020 (E_RNA)
where:
Base-Base interactions energy: -683.038
where: short stacking energy: -297.080
Base-Backbone interact. energy: -0.933
local terms energy: -299.407804
where:
bonds (distance) C4'-P energy: -55.486
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -83.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -953.262699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.262699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.262699 (E_RNA)
where:
Base-Base interactions energy: -664.267
where: short stacking energy: -304.720
Base-Backbone interact. energy: 0.448
local terms energy: -289.443526
where:
bonds (distance) C4'-P energy: -47.702
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -67.095
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -77.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -892.374027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.374027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.374027 (E_RNA)
where:
Base-Base interactions energy: -609.669
where: short stacking energy: -276.229
Base-Backbone interact. energy: -0.461
local terms energy: -282.243796
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -71.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -840.263703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.263703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.263703 (E_RNA)
where:
Base-Base interactions energy: -574.025
where: short stacking energy: -255.008
Base-Backbone interact. energy: -1.106
local terms energy: -265.132704
where:
bonds (distance) C4'-P energy: -49.154
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -61.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -708.707665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.707665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.707665 (E_RNA)
where:
Base-Base interactions energy: -487.601
where: short stacking energy: -222.647
Base-Backbone interact. energy: 0.988
local terms energy: -222.095401
where:
bonds (distance) C4'-P energy: -39.528
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -48.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -606.380736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.380736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.380736 (E_RNA)
where:
Base-Base interactions energy: -391.930
where: short stacking energy: -168.689
Base-Backbone interact. energy: 2.250
local terms energy: -216.701045
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -45.740
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -438.920513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.920513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.920513 (E_RNA)
where:
Base-Base interactions energy: -227.162
where: short stacking energy: -128.634
Base-Backbone interact. energy: 0.676
local terms energy: -212.434028
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -56.977
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -34.077
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1122.713985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.713985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.713985 (E_RNA)
where:
Base-Base interactions energy: -793.371
where: short stacking energy: -323.641
Base-Backbone interact. energy: 4.324
local terms energy: -333.667793
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -64.774
flat angles C4'-P-C4' energy: -72.269
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -91.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1079.378116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.378116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.378116 (E_RNA)
where:
Base-Base interactions energy: -762.511
where: short stacking energy: -316.178
Base-Backbone interact. energy: -1.896
local terms energy: -314.971055
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -45.745
tors. eta vs tors. theta energy: -85.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1059.812856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.812856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.812856 (E_RNA)
where:
Base-Base interactions energy: -735.750
where: short stacking energy: -312.319
Base-Backbone interact. energy: -0.854
local terms energy: -323.209317
where:
bonds (distance) C4'-P energy: -56.663
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -73.480
flat angles P-C4'-P energy: -46.070
tors. eta vs tors. theta energy: -85.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -997.569771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.569771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.569771 (E_RNA)
where:
Base-Base interactions energy: -678.064
where: short stacking energy: -278.251
Base-Backbone interact. energy: -0.628
local terms energy: -318.877857
where:
bonds (distance) C4'-P energy: -63.796
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -74.933
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -82.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -967.794029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.794029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.794029 (E_RNA)
where:
Base-Base interactions energy: -657.799
where: short stacking energy: -292.464
Base-Backbone interact. energy: -0.115
local terms energy: -309.880285
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -65.096
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -84.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -903.010393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.010393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.010393 (E_RNA)
where:
Base-Base interactions energy: -633.216
where: short stacking energy: -271.149
Base-Backbone interact. energy: -1.313
local terms energy: -268.481498
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -66.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -833.633407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.633407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.633407 (E_RNA)
where:
Base-Base interactions energy: -562.990
where: short stacking energy: -249.571
Base-Backbone interact. energy: -0.567
local terms energy: -270.076700
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -65.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -711.586905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.586905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.586905 (E_RNA)
where:
Base-Base interactions energy: -480.246
where: short stacking energy: -196.469
Base-Backbone interact. energy: -1.298
local terms energy: -230.043530
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -59.605
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -41.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -586.206572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.206572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.206572 (E_RNA)
where:
Base-Base interactions energy: -390.317
where: short stacking energy: -175.945
Base-Backbone interact. energy: -1.102
local terms energy: -194.787590
where:
bonds (distance) C4'-P energy: -40.295
bonds (distance) P-C4' energy: -40.007
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -39.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -434.785575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.785575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.785575 (E_RNA)
where:
Base-Base interactions energy: -240.931
where: short stacking energy: -138.819
Base-Backbone interact. energy: 2.383
local terms energy: -196.236763
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -43.409
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1123.388137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.388137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.388137 (E_RNA)
where:
Base-Base interactions energy: -801.243
where: short stacking energy: -341.766
Base-Backbone interact. energy: 3.434
local terms energy: -325.579860
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -74.385
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -95.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1069.981954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.981954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.981954 (E_RNA)
where:
Base-Base interactions energy: -752.225
where: short stacking energy: -321.340
Base-Backbone interact. energy: 0.164
local terms energy: -317.920177
where:
bonds (distance) C4'-P energy: -53.258
bonds (distance) P-C4' energy: -60.164
flat angles C4'-P-C4' energy: -70.494
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -88.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1027.575285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.575285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.575285 (E_RNA)
where:
Base-Base interactions energy: -708.029
where: short stacking energy: -309.183
Base-Backbone interact. energy: -1.938
local terms energy: -317.608771
where:
bonds (distance) C4'-P energy: -57.792
bonds (distance) P-C4' energy: -59.655
flat angles C4'-P-C4' energy: -66.963
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -84.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -976.378390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.378390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.378390 (E_RNA)
where:
Base-Base interactions energy: -675.656
where: short stacking energy: -283.857
Base-Backbone interact. energy: -0.341
local terms energy: -300.381783
where:
bonds (distance) C4'-P energy: -47.306
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -42.767
tors. eta vs tors. theta energy: -82.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -945.084691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.084691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.084691 (E_RNA)
where:
Base-Base interactions energy: -645.957
where: short stacking energy: -293.855
Base-Backbone interact. energy: -0.564
local terms energy: -298.564243
where:
bonds (distance) C4'-P energy: -56.718
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -45.473
tors. eta vs tors. theta energy: -77.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -939.045214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.045214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.045214 (E_RNA)
where:
Base-Base interactions energy: -667.740
where: short stacking energy: -275.982
Base-Backbone interact. energy: -0.838
local terms energy: -270.467105
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -56.594
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -76.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -844.935462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.935462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.935462 (E_RNA)
where:
Base-Base interactions energy: -565.638
where: short stacking energy: -252.475
Base-Backbone interact. energy: -1.718
local terms energy: -277.579453
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -74.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -696.209807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.209807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.209807 (E_RNA)
where:
Base-Base interactions energy: -474.410
where: short stacking energy: -209.769
Base-Backbone interact. energy: -1.217
local terms energy: -220.582503
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -40.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -604.762551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.762551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.762551 (E_RNA)
where:
Base-Base interactions energy: -387.993
where: short stacking energy: -183.989
Base-Backbone interact. energy: 1.617
local terms energy: -218.386347
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -452.415216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.415216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.415216 (E_RNA)
where:
Base-Base interactions energy: -256.225
where: short stacking energy: -118.753
Base-Backbone interact. energy: -1.963
local terms energy: -194.227193
where:
bonds (distance) C4'-P energy: -53.569
bonds (distance) P-C4' energy: -58.536
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1104.032808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.032808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.032808 (E_RNA)
where:
Base-Base interactions energy: -785.345
where: short stacking energy: -328.442
Base-Backbone interact. energy: -1.869
local terms energy: -316.818050
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -71.542
flat angles P-C4'-P energy: -43.389
tors. eta vs tors. theta energy: -85.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1052.609809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.609809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.609809 (E_RNA)
where:
Base-Base interactions energy: -736.597
where: short stacking energy: -319.577
Base-Backbone interact. energy: -1.888
local terms energy: -314.124789
where:
bonds (distance) C4'-P energy: -52.122
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -70.636
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: -87.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1048.319473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.319473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.319473 (E_RNA)
where:
Base-Base interactions energy: -744.162
where: short stacking energy: -306.010
Base-Backbone interact. energy: -0.165
local terms energy: -303.992710
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -65.467
flat angles C4'-P-C4' energy: -65.961
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -81.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -962.541389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.541389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.541389 (E_RNA)
where:
Base-Base interactions energy: -656.136
where: short stacking energy: -280.608
Base-Backbone interact. energy: -0.930
local terms energy: -305.475331
where:
bonds (distance) C4'-P energy: -58.040
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -76.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -930.831074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.831074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.831074 (E_RNA)
where:
Base-Base interactions energy: -637.229
where: short stacking energy: -279.283
Base-Backbone interact. energy: -0.540
local terms energy: -293.061975
where:
bonds (distance) C4'-P energy: -58.066
bonds (distance) P-C4' energy: -56.339
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -83.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -926.875975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.875975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.875975 (E_RNA)
where:
Base-Base interactions energy: -634.744
where: short stacking energy: -277.899
Base-Backbone interact. energy: 0.096
local terms energy: -292.228183
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -58.098
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -78.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -816.315193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.315193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.315193 (E_RNA)
where:
Base-Base interactions energy: -557.304
where: short stacking energy: -263.658
Base-Backbone interact. energy: -1.662
local terms energy: -257.348966
where:
bonds (distance) C4'-P energy: -42.648
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -63.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -691.885898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.885898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.885898 (E_RNA)
where:
Base-Base interactions energy: -466.810
where: short stacking energy: -181.730
Base-Backbone interact. energy: -0.006
local terms energy: -225.070093
where:
bonds (distance) C4'-P energy: -57.673
bonds (distance) P-C4' energy: -60.825
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -626.774871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.774871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.774871 (E_RNA)
where:
Base-Base interactions energy: -428.425
where: short stacking energy: -179.411
Base-Backbone interact. energy: -1.721
local terms energy: -196.628150
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -47.912
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -420.279490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.279490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.279490 (E_RNA)
where:
Base-Base interactions energy: -247.754
where: short stacking energy: -124.225
Base-Backbone interact. energy: -0.388
local terms energy: -172.137348
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1140.261979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.261979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.261979 (E_RNA)
where:
Base-Base interactions energy: -807.510
where: short stacking energy: -337.754
Base-Backbone interact. energy: 3.305
local terms energy: -336.057192
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -57.003
flat angles C4'-P-C4' energy: -73.004
flat angles P-C4'-P energy: -49.522
tors. eta vs tors. theta energy: -94.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1073.656794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.656794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.656794 (E_RNA)
where:
Base-Base interactions energy: -738.046
where: short stacking energy: -309.431
Base-Backbone interact. energy: -0.521
local terms energy: -335.089935
where:
bonds (distance) C4'-P energy: -69.426
bonds (distance) P-C4' energy: -56.023
flat angles C4'-P-C4' energy: -75.544
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -88.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1014.951010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.951010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.951010 (E_RNA)
where:
Base-Base interactions energy: -699.755
where: short stacking energy: -301.001
Base-Backbone interact. energy: -1.070
local terms energy: -314.126806
where:
bonds (distance) C4'-P energy: -56.198
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -66.063
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -85.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -967.242186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.242186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.242186 (E_RNA)
where:
Base-Base interactions energy: -663.278
where: short stacking energy: -283.642
Base-Backbone interact. energy: -0.747
local terms energy: -303.217485
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -64.445
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -80.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -940.099518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.099518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.099518 (E_RNA)
where:
Base-Base interactions energy: -633.530
where: short stacking energy: -268.829
Base-Backbone interact. energy: 0.992
local terms energy: -307.561782
where:
bonds (distance) C4'-P energy: -56.385
bonds (distance) P-C4' energy: -62.639
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -78.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -853.697224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.697224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.697224 (E_RNA)
where:
Base-Base interactions energy: -579.270
where: short stacking energy: -246.044
Base-Backbone interact. energy: -0.060
local terms energy: -274.367199
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -64.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -822.630449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.630449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.630449 (E_RNA)
where:
Base-Base interactions energy: -568.432
where: short stacking energy: -251.901
Base-Backbone interact. energy: 0.891
local terms energy: -255.089845
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -65.025
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -40.881
tors. eta vs tors. theta energy: -59.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -675.503114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.503114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.503114 (E_RNA)
where:
Base-Base interactions energy: -460.965
where: short stacking energy: -203.505
Base-Backbone interact. energy: 0.394
local terms energy: -214.931675
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -38.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -637.355547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.355547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.355547 (E_RNA)
where:
Base-Base interactions energy: -428.776
where: short stacking energy: -186.641
Base-Backbone interact. energy: 0.451
local terms energy: -209.031219
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -50.894
flat angles C4'-P-C4' energy: -52.254
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -429.167664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.167664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.167664 (E_RNA)
where:
Base-Base interactions energy: -249.127
where: short stacking energy: -154.753
Base-Backbone interact. energy: -0.527
local terms energy: -179.514272
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -49.303
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1129.030891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.030891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.030891 (E_RNA)
where:
Base-Base interactions energy: -803.313
where: short stacking energy: -328.668
Base-Backbone interact. energy: 1.583
local terms energy: -327.300992
where:
bonds (distance) C4'-P energy: -61.903
bonds (distance) P-C4' energy: -64.120
flat angles C4'-P-C4' energy: -65.542
flat angles P-C4'-P energy: -45.894
tors. eta vs tors. theta energy: -89.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1044.762581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.762581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.762581 (E_RNA)
where:
Base-Base interactions energy: -724.940
where: short stacking energy: -303.864
Base-Backbone interact. energy: -2.378
local terms energy: -317.444595
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -66.729
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -88.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1033.441792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.441792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.441792 (E_RNA)
where:
Base-Base interactions energy: -722.282
where: short stacking energy: -304.471
Base-Backbone interact. energy: -0.224
local terms energy: -310.935662
where:
bonds (distance) C4'-P energy: -53.993
bonds (distance) P-C4' energy: -62.864
flat angles C4'-P-C4' energy: -67.844
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -81.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -969.448978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.448978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.448978 (E_RNA)
where:
Base-Base interactions energy: -667.143
where: short stacking energy: -302.073
Base-Backbone interact. energy: -1.479
local terms energy: -300.826961
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -82.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -940.824420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.824420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.824420 (E_RNA)
where:
Base-Base interactions energy: -648.171
where: short stacking energy: -279.030
Base-Backbone interact. energy: 1.417
local terms energy: -294.070987
where:
bonds (distance) C4'-P energy: -53.143
bonds (distance) P-C4' energy: -59.106
flat angles C4'-P-C4' energy: -57.401
flat angles P-C4'-P energy: -46.757
tors. eta vs tors. theta energy: -77.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -891.179004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.179004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.179004 (E_RNA)
where:
Base-Base interactions energy: -614.104
where: short stacking energy: -274.178
Base-Backbone interact. energy: -1.414
local terms energy: -275.661450
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -62.725
flat angles P-C4'-P energy: -37.858
tors. eta vs tors. theta energy: -75.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -835.479917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.479917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.479917 (E_RNA)
where:
Base-Base interactions energy: -549.304
where: short stacking energy: -237.997
Base-Backbone interact. energy: 1.071
local terms energy: -287.246492
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -57.910
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -67.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -689.098283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.098283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.098283 (E_RNA)
where:
Base-Base interactions energy: -438.551
where: short stacking energy: -220.242
Base-Backbone interact. energy: -1.819
local terms energy: -248.727824
where:
bonds (distance) C4'-P energy: -51.981
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -59.583
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -49.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -627.892807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.892807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.892807 (E_RNA)
where:
Base-Base interactions energy: -407.293
where: short stacking energy: -167.028
Base-Backbone interact. energy: -1.373
local terms energy: -219.226548
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -32.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -477.126247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.126247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.126247 (E_RNA)
where:
Base-Base interactions energy: -257.345
where: short stacking energy: -154.800
Base-Backbone interact. energy: -0.344
local terms energy: -219.437951
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1129.598251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.598251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.598251 (E_RNA)
where:
Base-Base interactions energy: -799.853
where: short stacking energy: -326.831
Base-Backbone interact. energy: 1.076
local terms energy: -330.821090
where:
bonds (distance) C4'-P energy: -54.590
bonds (distance) P-C4' energy: -66.628
flat angles C4'-P-C4' energy: -71.403
flat angles P-C4'-P energy: -45.731
tors. eta vs tors. theta energy: -92.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1029.909874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.909874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.909874 (E_RNA)
where:
Base-Base interactions energy: -723.333
where: short stacking energy: -312.179
Base-Backbone interact. energy: -0.549
local terms energy: -306.028349
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -59.773
flat angles C4'-P-C4' energy: -59.061
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -81.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1049.247157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.247157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.247157 (E_RNA)
where:
Base-Base interactions energy: -733.665
where: short stacking energy: -326.658
Base-Backbone interact. energy: -2.041
local terms energy: -313.541035
where:
bonds (distance) C4'-P energy: -61.538
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -92.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -984.646548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.646548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.646548 (E_RNA)
where:
Base-Base interactions energy: -658.732
where: short stacking energy: -293.030
Base-Backbone interact. energy: -1.515
local terms energy: -324.399356
where:
bonds (distance) C4'-P energy: -54.555
bonds (distance) P-C4' energy: -63.708
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -45.267
tors. eta vs tors. theta energy: -90.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -952.970554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.970554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.970554 (E_RNA)
where:
Base-Base interactions energy: -654.141
where: short stacking energy: -274.633
Base-Backbone interact. energy: -1.286
local terms energy: -297.544252
where:
bonds (distance) C4'-P energy: -58.758
bonds (distance) P-C4' energy: -51.684
flat angles C4'-P-C4' energy: -62.783
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -880.248143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.248143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.248143 (E_RNA)
where:
Base-Base interactions energy: -583.292
where: short stacking energy: -262.133
Base-Backbone interact. energy: -0.507
local terms energy: -296.449691
where:
bonds (distance) C4'-P energy: -55.388
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -72.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -788.660845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.660845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.660845 (E_RNA)
where:
Base-Base interactions energy: -552.423
where: short stacking energy: -232.156
Base-Backbone interact. energy: -1.064
local terms energy: -235.173751
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -53.844
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -639.739299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.739299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.739299 (E_RNA)
where:
Base-Base interactions energy: -412.889
where: short stacking energy: -189.289
Base-Backbone interact. energy: -1.480
local terms energy: -225.370192
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -58.245
flat angles C4'-P-C4' energy: -51.872
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -44.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -643.313511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.313511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.313511 (E_RNA)
where:
Base-Base interactions energy: -434.883
where: short stacking energy: -184.443
Base-Backbone interact. energy: -0.848
local terms energy: -207.582468
where:
bonds (distance) C4'-P energy: -37.963
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -49.170
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -435.350966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.350966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.350966 (E_RNA)
where:
Base-Base interactions energy: -233.793
where: short stacking energy: -139.800
Base-Backbone interact. energy: -1.740
local terms energy: -199.817450
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1120.572502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.572502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.572502 (E_RNA)
where:
Base-Base interactions energy: -785.087
where: short stacking energy: -331.621
Base-Backbone interact. energy: 3.368
local terms energy: -338.853026
where:
bonds (distance) C4'-P energy: -60.202
bonds (distance) P-C4' energy: -56.123
flat angles C4'-P-C4' energy: -72.700
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -93.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1038.271881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.271881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.271881 (E_RNA)
where:
Base-Base interactions energy: -707.254
where: short stacking energy: -309.505
Base-Backbone interact. energy: -1.615
local terms energy: -329.403446
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -65.560
flat angles C4'-P-C4' energy: -65.935
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: -90.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1059.309863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.309863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.309863 (E_RNA)
where:
Base-Base interactions energy: -759.302
where: short stacking energy: -314.421
Base-Backbone interact. energy: 0.412
local terms energy: -300.419953
where:
bonds (distance) C4'-P energy: -58.453
bonds (distance) P-C4' energy: -60.602
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -77.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -973.971423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.971423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.971423 (E_RNA)
where:
Base-Base interactions energy: -664.019
where: short stacking energy: -308.789
Base-Backbone interact. energy: 0.062
local terms energy: -310.014709
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -42.254
tors. eta vs tors. theta energy: -95.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -956.853517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.853517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.853517 (E_RNA)
where:
Base-Base interactions energy: -661.676
where: short stacking energy: -296.730
Base-Backbone interact. energy: -1.709
local terms energy: -293.468731
where:
bonds (distance) C4'-P energy: -45.649
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -73.824
flat angles P-C4'-P energy: -40.484
tors. eta vs tors. theta energy: -82.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -887.774407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.774407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.774407 (E_RNA)
where:
Base-Base interactions energy: -590.445
where: short stacking energy: -245.831
Base-Backbone interact. energy: -0.232
local terms energy: -297.097132
where:
bonds (distance) C4'-P energy: -64.046
bonds (distance) P-C4' energy: -53.929
flat angles C4'-P-C4' energy: -63.533
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: -71.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -801.866692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.866692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.866692 (E_RNA)
where:
Base-Base interactions energy: -549.165
where: short stacking energy: -243.327
Base-Backbone interact. energy: -1.063
local terms energy: -251.638745
where:
bonds (distance) C4'-P energy: -47.031
bonds (distance) P-C4' energy: -59.005
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: -58.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -627.250865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.250865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.250865 (E_RNA)
where:
Base-Base interactions energy: -411.010
where: short stacking energy: -186.360
Base-Backbone interact. energy: 1.310
local terms energy: -217.550327
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -60.289
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -35.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -607.185945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.185945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.185945 (E_RNA)
where:
Base-Base interactions energy: -389.918
where: short stacking energy: -181.765
Base-Backbone interact. energy: 0.988
local terms energy: -218.256124
where:
bonds (distance) C4'-P energy: -39.465
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -58.987
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -491.727220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.727220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.727220 (E_RNA)
where:
Base-Base interactions energy: -290.018
where: short stacking energy: -144.773
Base-Backbone interact. energy: -2.566
local terms energy: -199.143014
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -53.661
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1128.380503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.380503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.380503 (E_RNA)
where:
Base-Base interactions energy: -795.677
where: short stacking energy: -334.967
Base-Backbone interact. energy: 2.905
local terms energy: -335.609002
where:
bonds (distance) C4'-P energy: -63.622
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -90.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1032.497377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.497377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.497377 (E_RNA)
where:
Base-Base interactions energy: -712.486
where: short stacking energy: -307.335
Base-Backbone interact. energy: 0.459
local terms energy: -320.470421
where:
bonds (distance) C4'-P energy: -60.326
bonds (distance) P-C4' energy: -62.631
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -84.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -995.008282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.008282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.008282 (E_RNA)
where:
Base-Base interactions energy: -701.319
where: short stacking energy: -299.329
Base-Backbone interact. energy: 1.028
local terms energy: -294.716510
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -79.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1023.132800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.132800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.132800 (E_RNA)
where:
Base-Base interactions energy: -714.642
where: short stacking energy: -310.787
Base-Backbone interact. energy: 0.001
local terms energy: -308.492045
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -54.361
flat angles C4'-P-C4' energy: -68.599
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -92.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -892.336373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.336373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.336373 (E_RNA)
where:
Base-Base interactions energy: -591.922
where: short stacking energy: -265.233
Base-Backbone interact. energy: 0.401
local terms energy: -300.815916
where:
bonds (distance) C4'-P energy: -62.293
bonds (distance) P-C4' energy: -65.385
flat angles C4'-P-C4' energy: -66.073
flat angles P-C4'-P energy: -33.745
tors. eta vs tors. theta energy: -73.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -939.113866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.113866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.113866 (E_RNA)
where:
Base-Base interactions energy: -636.032
where: short stacking energy: -276.748
Base-Backbone interact. energy: 0.274
local terms energy: -303.355744
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -68.944
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -824.487959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.487959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.487959 (E_RNA)
where:
Base-Base interactions energy: -574.374
where: short stacking energy: -240.148
Base-Backbone interact. energy: -0.819
local terms energy: -249.295304
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -41.634
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -61.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -631.577519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.577519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.577519 (E_RNA)
where:
Base-Base interactions energy: -417.732
where: short stacking energy: -205.449
Base-Backbone interact. energy: -0.533
local terms energy: -213.312460
where:
bonds (distance) C4'-P energy: -39.910
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -33.509
tors. eta vs tors. theta energy: -30.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -594.611093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.611093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.611093 (E_RNA)
where:
Base-Base interactions energy: -374.749
where: short stacking energy: -159.408
Base-Backbone interact. energy: 2.281
local terms energy: -222.143264
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: -30.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -458.008596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.008596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.008596 (E_RNA)
where:
Base-Base interactions energy: -280.979
where: short stacking energy: -116.928
Base-Backbone interact. energy: 1.327
local terms energy: -178.356336
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -51.290
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1125.370258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.370258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.370258 (E_RNA)
where:
Base-Base interactions energy: -776.710
where: short stacking energy: -326.924
Base-Backbone interact. energy: -1.605
local terms energy: -347.055229
where:
bonds (distance) C4'-P energy: -67.617
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -76.169
flat angles P-C4'-P energy: -49.190
tors. eta vs tors. theta energy: -93.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1047.459653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.459653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.459653 (E_RNA)
where:
Base-Base interactions energy: -728.891
where: short stacking energy: -295.051
Base-Backbone interact. energy: -1.284
local terms energy: -317.285139
where:
bonds (distance) C4'-P energy: -64.289
bonds (distance) P-C4' energy: -63.063
flat angles C4'-P-C4' energy: -61.088
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -89.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1020.796594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.796594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.796594 (E_RNA)
where:
Base-Base interactions energy: -707.204
where: short stacking energy: -312.968
Base-Backbone interact. energy: -0.372
local terms energy: -313.220965
where:
bonds (distance) C4'-P energy: -65.060
bonds (distance) P-C4' energy: -59.976
flat angles C4'-P-C4' energy: -66.130
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -90.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1023.166972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.166972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.166972 (E_RNA)
where:
Base-Base interactions energy: -721.557
where: short stacking energy: -297.116
Base-Backbone interact. energy: -2.860
local terms energy: -298.749820
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -59.216
flat angles C4'-P-C4' energy: -69.832
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -80.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -934.473859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.473859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.473859 (E_RNA)
where:
Base-Base interactions energy: -657.177
where: short stacking energy: -296.832
Base-Backbone interact. energy: 0.822
local terms energy: -278.118799
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -60.590
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -82.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -918.315307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.315307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.315307 (E_RNA)
where:
Base-Base interactions energy: -631.884
where: short stacking energy: -259.132
Base-Backbone interact. energy: 1.518
local terms energy: -287.949499
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -48.670
flat angles C4'-P-C4' energy: -61.712
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -80.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -813.251383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.251383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.251383 (E_RNA)
where:
Base-Base interactions energy: -561.133
where: short stacking energy: -233.994
Base-Backbone interact. energy: -1.458
local terms energy: -250.660014
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -57.527
flat angles C4'-P-C4' energy: -50.142
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -56.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -658.720020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.720020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.720020 (E_RNA)
where:
Base-Base interactions energy: -426.398
where: short stacking energy: -194.903
Base-Backbone interact. energy: 1.368
local terms energy: -233.690381
where:
bonds (distance) C4'-P energy: -56.381
bonds (distance) P-C4' energy: -47.090
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -44.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -547.035833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.035833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.035833 (E_RNA)
where:
Base-Base interactions energy: -322.200
where: short stacking energy: -168.714
Base-Backbone interact. energy: 0.075
local terms energy: -224.910444
where:
bonds (distance) C4'-P energy: -48.604
bonds (distance) P-C4' energy: -50.424
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -37.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -425.796887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.796887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.796887 (E_RNA)
where:
Base-Base interactions energy: -242.455
where: short stacking energy: -122.807
Base-Backbone interact. energy: 0.749
local terms energy: -184.090934
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1116.428610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.428610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.428610 (E_RNA)
where:
Base-Base interactions energy: -771.168
where: short stacking energy: -327.597
Base-Backbone interact. energy: -0.525
local terms energy: -344.735900
where:
bonds (distance) C4'-P energy: -61.016
bonds (distance) P-C4' energy: -67.152
flat angles C4'-P-C4' energy: -70.841
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -98.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1068.318686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.318686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.318686 (E_RNA)
where:
Base-Base interactions energy: -752.460
where: short stacking energy: -323.761
Base-Backbone interact. energy: -1.175
local terms energy: -314.683481
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -43.521
tors. eta vs tors. theta energy: -88.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1051.605983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.605983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.605983 (E_RNA)
where:
Base-Base interactions energy: -753.622
where: short stacking energy: -321.734
Base-Backbone interact. energy: 0.953
local terms energy: -298.936971
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: -90.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1020.046397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.046397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.046397 (E_RNA)
where:
Base-Base interactions energy: -715.528
where: short stacking energy: -325.566
Base-Backbone interact. energy: -1.600
local terms energy: -302.918697
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -88.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -898.137203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.137203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.137203 (E_RNA)
where:
Base-Base interactions energy: -626.284
where: short stacking energy: -270.942
Base-Backbone interact. energy: -1.806
local terms energy: -270.046878
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -60.957
flat angles C4'-P-C4' energy: -54.167
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -79.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -911.294981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.294981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.294981 (E_RNA)
where:
Base-Base interactions energy: -631.903
where: short stacking energy: -274.429
Base-Backbone interact. energy: -0.267
local terms energy: -279.125365
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -56.236
flat angles C4'-P-C4' energy: -63.260
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -70.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -819.128391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.128391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.128391 (E_RNA)
where:
Base-Base interactions energy: -539.269
where: short stacking energy: -227.534
Base-Backbone interact. energy: -1.775
local terms energy: -278.084266
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -58.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -698.518177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.518177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.518177 (E_RNA)
where:
Base-Base interactions energy: -445.813
where: short stacking energy: -205.257
Base-Backbone interact. energy: -1.153
local terms energy: -251.552210
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -49.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -598.908508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.908508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.908508 (E_RNA)
where:
Base-Base interactions energy: -399.027
where: short stacking energy: -183.774
Base-Backbone interact. energy: -0.979
local terms energy: -198.902684
where:
bonds (distance) C4'-P energy: -45.921
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -44.748
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -40.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -421.673787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.673787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.673787 (E_RNA)
where:
Base-Base interactions energy: -229.262
where: short stacking energy: -123.044
Base-Backbone interact. energy: 0.917
local terms energy: -193.329047
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1103.216117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.216117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.216117 (E_RNA)
where:
Base-Base interactions energy: -781.010
where: short stacking energy: -321.921
Base-Backbone interact. energy: -1.986
local terms energy: -320.220705
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -71.691
flat angles C4'-P-C4' energy: -58.606
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -84.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1046.138675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.138675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.138675 (E_RNA)
where:
Base-Base interactions energy: -719.822
where: short stacking energy: -303.076
Base-Backbone interact. energy: -0.319
local terms energy: -325.997213
where:
bonds (distance) C4'-P energy: -63.521
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -67.285
flat angles P-C4'-P energy: -48.698
tors. eta vs tors. theta energy: -86.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1039.387745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.387745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.387745 (E_RNA)
where:
Base-Base interactions energy: -713.640
where: short stacking energy: -302.438
Base-Backbone interact. energy: -1.071
local terms energy: -324.676969
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -60.625
flat angles C4'-P-C4' energy: -70.455
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -88.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1009.738826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.738826 (E_RNA)
where:
Base-Base interactions energy: -685.171
where: short stacking energy: -310.761
Base-Backbone interact. energy: -0.126
local terms energy: -324.441295
where:
bonds (distance) C4'-P energy: -62.344
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -61.081
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -89.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -939.655548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.655548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.655548 (E_RNA)
where:
Base-Base interactions energy: -672.798
where: short stacking energy: -284.510
Base-Backbone interact. energy: -0.561
local terms energy: -266.296321
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -60.711
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -70.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -906.345548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.345548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.345548 (E_RNA)
where:
Base-Base interactions energy: -626.516
where: short stacking energy: -278.521
Base-Backbone interact. energy: -0.610
local terms energy: -279.219697
where:
bonds (distance) C4'-P energy: -56.455
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: -78.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -847.868079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.868079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.868079 (E_RNA)
where:
Base-Base interactions energy: -608.553
where: short stacking energy: -257.291
Base-Backbone interact. energy: -0.839
local terms energy: -238.476639
where:
bonds (distance) C4'-P energy: -47.344
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -61.468
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -62.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -684.588955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.588955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.588955 (E_RNA)
where:
Base-Base interactions energy: -462.290
where: short stacking energy: -202.241
Base-Backbone interact. energy: -2.495
local terms energy: -219.803884
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -52.422
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -41.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -583.410499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.410499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.410499 (E_RNA)
where:
Base-Base interactions energy: -370.192
where: short stacking energy: -164.294
Base-Backbone interact. energy: -0.663
local terms energy: -212.555950
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -57.642
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -32.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -390.952325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.952325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.952325 (E_RNA)
where:
Base-Base interactions energy: -233.255
where: short stacking energy: -110.081
Base-Backbone interact. energy: 0.797
local terms energy: -158.494417
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -45.410
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1105.029848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.029848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.029848 (E_RNA)
where:
Base-Base interactions energy: -769.905
where: short stacking energy: -325.456
Base-Backbone interact. energy: -3.057
local terms energy: -332.068071
where:
bonds (distance) C4'-P energy: -63.330
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -72.923
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -89.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1032.074926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.074926 (E_RNA)
where:
Base-Base interactions energy: -708.635
where: short stacking energy: -303.204
Base-Backbone interact. energy: -0.287
local terms energy: -323.153118
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -66.844
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -51.382
tors. eta vs tors. theta energy: -80.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1051.079284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.079284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.079284 (E_RNA)
where:
Base-Base interactions energy: -750.528
where: short stacking energy: -314.626
Base-Backbone interact. energy: -0.916
local terms energy: -299.635243
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -82.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -989.343394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.343394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.343394 (E_RNA)
where:
Base-Base interactions energy: -677.475
where: short stacking energy: -299.440
Base-Backbone interact. energy: -0.372
local terms energy: -311.496413
where:
bonds (distance) C4'-P energy: -58.611
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -71.873
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -90.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -956.382695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.382695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.382695 (E_RNA)
where:
Base-Base interactions energy: -666.753
where: short stacking energy: -298.644
Base-Backbone interact. energy: -0.988
local terms energy: -288.641498
where:
bonds (distance) C4'-P energy: -55.567
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -65.626
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -80.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -919.752196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.752196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.752196 (E_RNA)
where:
Base-Base interactions energy: -635.042
where: short stacking energy: -295.119
Base-Backbone interact. energy: -0.394
local terms energy: -284.316428
where:
bonds (distance) C4'-P energy: -58.571
bonds (distance) P-C4' energy: -44.138
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -82.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -836.366778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.366778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.366778 (E_RNA)
where:
Base-Base interactions energy: -576.484
where: short stacking energy: -247.562
Base-Backbone interact. energy: 0.577
local terms energy: -260.459203
where:
bonds (distance) C4'-P energy: -50.494
bonds (distance) P-C4' energy: -55.332
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -56.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -734.683960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.683960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.683960 (E_RNA)
where:
Base-Base interactions energy: -485.750
where: short stacking energy: -225.594
Base-Backbone interact. energy: -1.410
local terms energy: -247.523975
where:
bonds (distance) C4'-P energy: -46.342
bonds (distance) P-C4' energy: -54.498
flat angles C4'-P-C4' energy: -52.700
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -531.121387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.121387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.121387 (E_RNA)
where:
Base-Base interactions energy: -328.284
where: short stacking energy: -154.134
Base-Backbone interact. energy: 2.150
local terms energy: -204.987417
where:
bonds (distance) C4'-P energy: -44.892
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -40.283
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -32.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -415.720852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.720852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.720852 (E_RNA)
where:
Base-Base interactions energy: -228.229
where: short stacking energy: -123.503
Base-Backbone interact. energy: -0.269
local terms energy: -187.222899
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1113.390170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.390170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.390170 (E_RNA)
where:
Base-Base interactions energy: -770.621
where: short stacking energy: -336.256
Base-Backbone interact. energy: -1.712
local terms energy: -341.057016
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -67.637
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -96.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1057.014023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.014023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.014023 (E_RNA)
where:
Base-Base interactions energy: -727.899
where: short stacking energy: -323.909
Base-Backbone interact. energy: -0.319
local terms energy: -328.795900
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -71.210
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -94.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1059.228393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.228393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.228393 (E_RNA)
where:
Base-Base interactions energy: -749.947
where: short stacking energy: -323.500
Base-Backbone interact. energy: -1.740
local terms energy: -307.541279
where:
bonds (distance) C4'-P energy: -61.250
bonds (distance) P-C4' energy: -57.967
flat angles C4'-P-C4' energy: -64.343
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -90.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1019.481797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.481797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.481797 (E_RNA)
where:
Base-Base interactions energy: -684.931
where: short stacking energy: -299.208
Base-Backbone interact. energy: -0.564
local terms energy: -333.986413
where:
bonds (distance) C4'-P energy: -64.664
bonds (distance) P-C4' energy: -59.298
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -93.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -937.247903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.247903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.247903 (E_RNA)
where:
Base-Base interactions energy: -640.068
where: short stacking energy: -279.435
Base-Backbone interact. energy: -1.466
local terms energy: -295.714647
where:
bonds (distance) C4'-P energy: -56.772
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -59.047
flat angles P-C4'-P energy: -45.007
tors. eta vs tors. theta energy: -78.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -916.608263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.608263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.608263 (E_RNA)
where:
Base-Base interactions energy: -634.161
where: short stacking energy: -275.918
Base-Backbone interact. energy: -0.691
local terms energy: -281.755813
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -58.798
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -82.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -835.594494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.594494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.594494 (E_RNA)
where:
Base-Base interactions energy: -575.886
where: short stacking energy: -249.075
Base-Backbone interact. energy: -1.868
local terms energy: -257.840799
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -55.746
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -58.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -759.798569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.798569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.798569 (E_RNA)
where:
Base-Base interactions energy: -513.791
where: short stacking energy: -221.804
Base-Backbone interact. energy: -2.261
local terms energy: -243.746390
where:
bonds (distance) C4'-P energy: -52.438
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -55.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -546.165148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.165148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.165148 (E_RNA)
where:
Base-Base interactions energy: -340.125
where: short stacking energy: -166.670
Base-Backbone interact. energy: 0.031
local terms energy: -206.071584
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -406.507323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.507323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.507323 (E_RNA)
where:
Base-Base interactions energy: -216.001
where: short stacking energy: -126.327
Base-Backbone interact. energy: -0.755
local terms energy: -189.751345
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -32.572
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1109.466174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.466174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.466174 (E_RNA)
where:
Base-Base interactions energy: -796.923
where: short stacking energy: -315.462
Base-Backbone interact. energy: -0.756
local terms energy: -311.787030
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -58.769
flat angles C4'-P-C4' energy: -64.054
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: -86.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1042.288476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.288476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.288476 (E_RNA)
where:
Base-Base interactions energy: -722.808
where: short stacking energy: -306.000
Base-Backbone interact. energy: -1.042
local terms energy: -318.437640
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -60.092
flat angles C4'-P-C4' energy: -67.444
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -83.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1017.638267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.638267 (E_RNA)
where:
Base-Base interactions energy: -697.143
where: short stacking energy: -303.968
Base-Backbone interact. energy: -0.240
local terms energy: -320.254936
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -72.624
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -89.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1017.660532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.660532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.660532 (E_RNA)
where:
Base-Base interactions energy: -719.662
where: short stacking energy: -319.040
Base-Backbone interact. energy: -1.343
local terms energy: -296.656431
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -60.684
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -85.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -939.104975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.104975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.104975 (E_RNA)
where:
Base-Base interactions energy: -650.677
where: short stacking energy: -279.133
Base-Backbone interact. energy: -1.093
local terms energy: -287.334543
where:
bonds (distance) C4'-P energy: -51.905
bonds (distance) P-C4' energy: -58.029
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -75.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -938.225870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.225870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.225870 (E_RNA)
where:
Base-Base interactions energy: -664.156
where: short stacking energy: -277.268
Base-Backbone interact. energy: -1.463
local terms energy: -272.606752
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -63.188
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -70.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -828.582788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.582788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.582788 (E_RNA)
where:
Base-Base interactions energy: -565.629
where: short stacking energy: -245.607
Base-Backbone interact. energy: -1.576
local terms energy: -261.378238
where:
bonds (distance) C4'-P energy: -56.225
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -60.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -764.737534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.737534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.737534 (E_RNA)
where:
Base-Base interactions energy: -504.973
where: short stacking energy: -232.026
Base-Backbone interact. energy: -0.769
local terms energy: -258.996059
where:
bonds (distance) C4'-P energy: -46.804
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -64.216
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -56.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -530.754425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.754425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.754425 (E_RNA)
where:
Base-Base interactions energy: -343.733
where: short stacking energy: -152.656
Base-Backbone interact. energy: 1.419
local terms energy: -188.440663
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -52.067
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -391.676575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.676575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.676575 (E_RNA)
where:
Base-Base interactions energy: -219.264
where: short stacking energy: -124.430
Base-Backbone interact. energy: 0.317
local terms energy: -172.729503
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -44.578
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1116.451983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.451983 (E_RNA)
where:
Base-Base interactions energy: -814.882
where: short stacking energy: -328.478
Base-Backbone interact. energy: 0.155
local terms energy: -301.725654
where:
bonds (distance) C4'-P energy: -56.351
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -69.123
flat angles P-C4'-P energy: -36.814
tors. eta vs tors. theta energy: -83.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1060.584430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.584430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.584430 (E_RNA)
where:
Base-Base interactions energy: -721.579
where: short stacking energy: -328.391
Base-Backbone interact. energy: -0.499
local terms energy: -338.506255
where:
bonds (distance) C4'-P energy: -62.836
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -94.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1026.429481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.429481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.429481 (E_RNA)
where:
Base-Base interactions energy: -711.491
where: short stacking energy: -312.336
Base-Backbone interact. energy: -1.601
local terms energy: -313.338285
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -61.320
flat angles C4'-P-C4' energy: -69.457
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -90.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1018.824032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.824032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.824032 (E_RNA)
where:
Base-Base interactions energy: -722.850
where: short stacking energy: -305.858
Base-Backbone interact. energy: 0.516
local terms energy: -296.489289
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -64.286
flat angles P-C4'-P energy: -41.085
tors. eta vs tors. theta energy: -93.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -969.533186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.533186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.533186 (E_RNA)
where:
Base-Base interactions energy: -680.177
where: short stacking energy: -289.498
Base-Backbone interact. energy: -1.806
local terms energy: -287.550503
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -58.423
flat angles C4'-P-C4' energy: -63.067
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -80.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -926.342382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.342382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.342382 (E_RNA)
where:
Base-Base interactions energy: -654.994
where: short stacking energy: -275.567
Base-Backbone interact. energy: -1.414
local terms energy: -269.934779
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -59.919
flat angles C4'-P-C4' energy: -63.296
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -76.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -813.907979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.907979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.907979 (E_RNA)
where:
Base-Base interactions energy: -564.199
where: short stacking energy: -253.922
Base-Backbone interact. energy: -1.281
local terms energy: -248.427986
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -55.496
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -63.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -683.087039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.087039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.087039 (E_RNA)
where:
Base-Base interactions energy: -471.023
where: short stacking energy: -212.248
Base-Backbone interact. energy: -1.362
local terms energy: -210.702465
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -44.078
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -35.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -522.668041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.668041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.668041 (E_RNA)
where:
Base-Base interactions energy: -321.599
where: short stacking energy: -157.317
Base-Backbone interact. energy: -0.818
local terms energy: -200.251728
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -46.247
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -420.858552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.858552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.858552 (E_RNA)
where:
Base-Base interactions energy: -242.087
where: short stacking energy: -119.971
Base-Backbone interact. energy: -1.631
local terms energy: -177.140454
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1095.221576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.221576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.221576 (E_RNA)
where:
Base-Base interactions energy: -774.410
where: short stacking energy: -327.754
Base-Backbone interact. energy: -2.150
local terms energy: -318.661239
where:
bonds (distance) C4'-P energy: -58.823
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -90.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1052.749593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.749593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.749593 (E_RNA)
where:
Base-Base interactions energy: -728.982
where: short stacking energy: -315.645
Base-Backbone interact. energy: -0.328
local terms energy: -323.440536
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -71.355
flat angles P-C4'-P energy: -43.719
tors. eta vs tors. theta energy: -92.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1048.038719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.038719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.038719 (E_RNA)
where:
Base-Base interactions energy: -714.446
where: short stacking energy: -313.907
Base-Backbone interact. energy: -1.534
local terms energy: -332.058523
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -70.151
flat angles C4'-P-C4' energy: -69.885
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -87.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1001.616442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.616442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.616442 (E_RNA)
where:
Base-Base interactions energy: -715.778
where: short stacking energy: -282.335
Base-Backbone interact. energy: -0.703
local terms energy: -285.134891
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -80.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -914.002915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.002915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.002915 (E_RNA)
where:
Base-Base interactions energy: -629.577
where: short stacking energy: -264.987
Base-Backbone interact. energy: -1.166
local terms energy: -283.259943
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -61.352
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -34.410
tors. eta vs tors. theta energy: -67.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -964.445608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.445608 (E_RNA)
where:
Base-Base interactions energy: -675.616
where: short stacking energy: -287.595
Base-Backbone interact. energy: 0.411
local terms energy: -289.240855
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -42.039
tors. eta vs tors. theta energy: -77.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -799.004192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.004192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.004192 (E_RNA)
where:
Base-Base interactions energy: -543.655
where: short stacking energy: -233.098
Base-Backbone interact. energy: -1.511
local terms energy: -253.838578
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -48.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -723.208487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.208487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.208487 (E_RNA)
where:
Base-Base interactions energy: -472.803
where: short stacking energy: -193.976
Base-Backbone interact. energy: -0.896
local terms energy: -249.509965
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -60.348
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -59.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -541.613161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.613161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.613161 (E_RNA)
where:
Base-Base interactions energy: -340.069
where: short stacking energy: -174.364
Base-Backbone interact. energy: -1.111
local terms energy: -200.433715
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -25.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -417.895130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.895130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.895130 (E_RNA)
where:
Base-Base interactions energy: -266.607
where: short stacking energy: -111.089
Base-Backbone interact. energy: 1.746
local terms energy: -153.033620
where:
bonds (distance) C4'-P energy: -45.946
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: 4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1125.323615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.323615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.323615 (E_RNA)
where:
Base-Base interactions energy: -797.454
where: short stacking energy: -337.031
Base-Backbone interact. energy: 2.298
local terms energy: -330.166986
where:
bonds (distance) C4'-P energy: -64.330
bonds (distance) P-C4' energy: -57.714
flat angles C4'-P-C4' energy: -70.216
flat angles P-C4'-P energy: -50.457
tors. eta vs tors. theta energy: -87.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1068.107479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.107479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.107479 (E_RNA)
where:
Base-Base interactions energy: -724.845
where: short stacking energy: -322.043
Base-Backbone interact. energy: -0.515
local terms energy: -342.747230
where:
bonds (distance) C4'-P energy: -66.266
bonds (distance) P-C4' energy: -58.219
flat angles C4'-P-C4' energy: -76.608
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -95.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1048.005525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.005525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.005525 (E_RNA)
where:
Base-Base interactions energy: -724.121
where: short stacking energy: -326.387
Base-Backbone interact. energy: -0.445
local terms energy: -323.439343
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -69.447
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -93.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -958.341515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.341515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.341515 (E_RNA)
where:
Base-Base interactions energy: -661.505
where: short stacking energy: -274.711
Base-Backbone interact. energy: -1.840
local terms energy: -294.996683
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -61.446
flat angles C4'-P-C4' energy: -68.200
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -85.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -977.361251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.361251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.361251 (E_RNA)
where:
Base-Base interactions energy: -679.905
where: short stacking energy: -289.771
Base-Backbone interact. energy: 0.498
local terms energy: -297.954401
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -59.234
flat angles C4'-P-C4' energy: -65.517
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -89.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -950.590695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.590695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.590695 (E_RNA)
where:
Base-Base interactions energy: -656.073
where: short stacking energy: -277.390
Base-Backbone interact. energy: -2.385
local terms energy: -292.133146
where:
bonds (distance) C4'-P energy: -63.883
bonds (distance) P-C4' energy: -56.147
flat angles C4'-P-C4' energy: -55.441
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -72.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -797.078248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.078248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.078248 (E_RNA)
where:
Base-Base interactions energy: -523.504
where: short stacking energy: -228.503
Base-Backbone interact. energy: -2.443
local terms energy: -271.131524
where:
bonds (distance) C4'-P energy: -57.605
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -66.004
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -61.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -743.866152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.866152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.866152 (E_RNA)
where:
Base-Base interactions energy: -517.917
where: short stacking energy: -234.500
Base-Backbone interact. energy: -1.890
local terms energy: -224.059149
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -47.038
flat angles C4'-P-C4' energy: -46.228
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -50.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -544.985324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.985324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.985324 (E_RNA)
where:
Base-Base interactions energy: -324.713
where: short stacking energy: -161.742
Base-Backbone interact. energy: -1.042
local terms energy: -219.230071
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -54.936
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -29.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -383.393841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.393841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.393841 (E_RNA)
where:
Base-Base interactions energy: -223.773
where: short stacking energy: -127.848
Base-Backbone interact. energy: -1.922
local terms energy: -157.699217
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: 4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1088.211017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.211017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.211017 (E_RNA)
where:
Base-Base interactions energy: -752.512
where: short stacking energy: -323.535
Base-Backbone interact. energy: -1.736
local terms energy: -333.962623
where:
bonds (distance) C4'-P energy: -59.944
bonds (distance) P-C4' energy: -61.852
flat angles C4'-P-C4' energy: -69.720
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -93.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1074.761465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.761465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.761465 (E_RNA)
where:
Base-Base interactions energy: -767.200
where: short stacking energy: -320.077
Base-Backbone interact. energy: 1.502
local terms energy: -309.063695
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -57.807
flat angles C4'-P-C4' energy: -66.319
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1022.145610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.145610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.145610 (E_RNA)
where:
Base-Base interactions energy: -682.179
where: short stacking energy: -302.396
Base-Backbone interact. energy: -0.721
local terms energy: -339.245657
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -64.030
flat angles C4'-P-C4' energy: -70.317
flat angles P-C4'-P energy: -49.062
tors. eta vs tors. theta energy: -95.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -965.148168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.148168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.148168 (E_RNA)
where:
Base-Base interactions energy: -661.795
where: short stacking energy: -288.979
Base-Backbone interact. energy: 0.899
local terms energy: -304.252328
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -58.634
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -86.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -974.102531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.102531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.102531 (E_RNA)
where:
Base-Base interactions energy: -662.272
where: short stacking energy: -290.264
Base-Backbone interact. energy: -2.047
local terms energy: -309.783642
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -66.056
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -87.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -899.623981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.623981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.623981 (E_RNA)
where:
Base-Base interactions energy: -622.835
where: short stacking energy: -267.023
Base-Backbone interact. energy: -0.643
local terms energy: -276.146665
where:
bonds (distance) C4'-P energy: -62.578
bonds (distance) P-C4' energy: -52.058
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -810.978378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.978378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.978378 (E_RNA)
where:
Base-Base interactions energy: -573.571
where: short stacking energy: -246.940
Base-Backbone interact. energy: 0.921
local terms energy: -238.327478
where:
bonds (distance) C4'-P energy: -52.257
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -50.831
flat angles P-C4'-P energy: -29.460
tors. eta vs tors. theta energy: -55.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -739.784918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.784918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.784918 (E_RNA)
where:
Base-Base interactions energy: -470.910
where: short stacking energy: -233.313
Base-Backbone interact. energy: -0.439
local terms energy: -268.435847
where:
bonds (distance) C4'-P energy: -55.486
bonds (distance) P-C4' energy: -51.537
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -536.764763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.764763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.764763 (E_RNA)
where:
Base-Base interactions energy: -321.711
where: short stacking energy: -168.235
Base-Backbone interact. energy: -0.984
local terms energy: -214.070128
where:
bonds (distance) C4'-P energy: -54.551
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -35.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -380.821201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.821201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.821201 (E_RNA)
where:
Base-Base interactions energy: -202.638
where: short stacking energy: -96.983
Base-Backbone interact. energy: 0.063
local terms energy: -178.246105
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -51.016
flat angles C4'-P-C4' energy: -52.845
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1101.512697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.512697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.512697 (E_RNA)
where:
Base-Base interactions energy: -752.817
where: short stacking energy: -329.952
Base-Backbone interact. energy: -2.181
local terms energy: -346.514771
where:
bonds (distance) C4'-P energy: -64.393
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -69.785
flat angles P-C4'-P energy: -51.337
tors. eta vs tors. theta energy: -101.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1075.374293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.374293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.374293 (E_RNA)
where:
Base-Base interactions energy: -772.162
where: short stacking energy: -315.612
Base-Backbone interact. energy: 2.995
local terms energy: -306.207578
where:
bonds (distance) C4'-P energy: -60.374
bonds (distance) P-C4' energy: -53.412
flat angles C4'-P-C4' energy: -65.511
flat angles P-C4'-P energy: -43.775
tors. eta vs tors. theta energy: -83.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1019.057453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.057453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.057453 (E_RNA)
where:
Base-Base interactions energy: -720.204
where: short stacking energy: -303.914
Base-Backbone interact. energy: -2.788
local terms energy: -296.064924
where:
bonds (distance) C4'-P energy: -51.427
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -90.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1002.655110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.655110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.655110 (E_RNA)
where:
Base-Base interactions energy: -694.619
where: short stacking energy: -291.727
Base-Backbone interact. energy: 0.853
local terms energy: -308.889430
where:
bonds (distance) C4'-P energy: -62.276
bonds (distance) P-C4' energy: -55.600
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -78.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -938.150376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.150376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.150376 (E_RNA)
where:
Base-Base interactions energy: -643.278
where: short stacking energy: -279.538
Base-Backbone interact. energy: -1.797
local terms energy: -293.075506
where:
bonds (distance) C4'-P energy: -57.379
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -82.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -911.654668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.654668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.654668 (E_RNA)
where:
Base-Base interactions energy: -630.191
where: short stacking energy: -286.503
Base-Backbone interact. energy: 0.279
local terms energy: -281.742259
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -45.137
tors. eta vs tors. theta energy: -70.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -818.446189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.446189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.446189 (E_RNA)
where:
Base-Base interactions energy: -557.350
where: short stacking energy: -233.457
Base-Backbone interact. energy: 0.222
local terms energy: -261.317776
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -51.853
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -60.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -741.320652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.320652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.320652 (E_RNA)
where:
Base-Base interactions energy: -489.162
where: short stacking energy: -223.096
Base-Backbone interact. energy: -0.085
local terms energy: -252.074205
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -38.683
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -550.948491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.948491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.948491 (E_RNA)
where:
Base-Base interactions energy: -329.409
where: short stacking energy: -165.866
Base-Backbone interact. energy: 0.011
local terms energy: -221.550907
where:
bonds (distance) C4'-P energy: -50.822
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -48.222
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -41.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -347.135737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.135737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.135737 (E_RNA)
where:
Base-Base interactions energy: -185.745
where: short stacking energy: -92.652
Base-Backbone interact. energy: -0.177
local terms energy: -161.213969
where:
bonds (distance) C4'-P energy: -50.915
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: 4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1090.455760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.455760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.455760 (E_RNA)
where:
Base-Base interactions energy: -740.020
where: short stacking energy: -314.305
Base-Backbone interact. energy: -3.571
local terms energy: -346.864916
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -61.530
flat angles C4'-P-C4' energy: -68.756
flat angles P-C4'-P energy: -53.267
tors. eta vs tors. theta energy: -96.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1081.384556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.384556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.384556 (E_RNA)
where:
Base-Base interactions energy: -765.489
where: short stacking energy: -319.670
Base-Backbone interact. energy: -3.251
local terms energy: -312.644684
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -72.150
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -80.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1007.210967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.210967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.210967 (E_RNA)
where:
Base-Base interactions energy: -707.299
where: short stacking energy: -293.315
Base-Backbone interact. energy: 1.744
local terms energy: -301.655752
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -78.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -984.824447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.824447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.824447 (E_RNA)
where:
Base-Base interactions energy: -667.943
where: short stacking energy: -286.307
Base-Backbone interact. energy: -0.310
local terms energy: -316.571282
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -58.350
flat angles C4'-P-C4' energy: -73.746
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -90.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -941.347262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.347262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.347262 (E_RNA)
where:
Base-Base interactions energy: -645.093
where: short stacking energy: -274.319
Base-Backbone interact. energy: -1.205
local terms energy: -295.049427
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -78.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -904.488799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.488799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.488799 (E_RNA)
where:
Base-Base interactions energy: -624.224
where: short stacking energy: -259.760
Base-Backbone interact. energy: 1.922
local terms energy: -282.187024
where:
bonds (distance) C4'-P energy: -53.981
bonds (distance) P-C4' energy: -57.579
flat angles C4'-P-C4' energy: -50.854
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -77.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -774.658405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.658405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.658405 (E_RNA)
where:
Base-Base interactions energy: -510.375
where: short stacking energy: -215.615
Base-Backbone interact. energy: -0.923
local terms energy: -263.360890
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -48.396
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -57.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -804.556183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.556183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.556183 (E_RNA)
where:
Base-Base interactions energy: -540.304
where: short stacking energy: -245.394
Base-Backbone interact. energy: 1.781
local terms energy: -266.033030
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -57.182
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -63.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -537.076068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.076068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.076068 (E_RNA)
where:
Base-Base interactions energy: -356.196
where: short stacking energy: -164.335
Base-Backbone interact. energy: 0.345
local terms energy: -181.225498
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -55.104
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -366.041061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.041061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.041061 (E_RNA)
where:
Base-Base interactions energy: -169.199
where: short stacking energy: -89.032
Base-Backbone interact. energy: -2.482
local terms energy: -194.359605
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -62.795
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1113.600979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.600979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.600979 (E_RNA)
where:
Base-Base interactions energy: -787.888
where: short stacking energy: -335.245
Base-Backbone interact. energy: -1.279
local terms energy: -324.434200
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -60.406
flat angles C4'-P-C4' energy: -69.336
flat angles P-C4'-P energy: -46.165
tors. eta vs tors. theta energy: -96.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1037.529697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.529697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.529697 (E_RNA)
where:
Base-Base interactions energy: -733.747
where: short stacking energy: -316.058
Base-Backbone interact. energy: -1.652
local terms energy: -302.130175
where:
bonds (distance) C4'-P energy: -56.254
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -64.141
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -91.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1060.566528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.566528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.566528 (E_RNA)
where:
Base-Base interactions energy: -741.907
where: short stacking energy: -298.425
Base-Backbone interact. energy: -0.954
local terms energy: -317.706159
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -47.691
tors. eta vs tors. theta energy: -88.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -978.366506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.366506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.366506 (E_RNA)
where:
Base-Base interactions energy: -682.152
where: short stacking energy: -304.391
Base-Backbone interact. energy: -0.176
local terms energy: -296.038267
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -63.943
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -910.489552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.489552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.489552 (E_RNA)
where:
Base-Base interactions energy: -628.924
where: short stacking energy: -266.937
Base-Backbone interact. energy: -1.098
local terms energy: -280.466915
where:
bonds (distance) C4'-P energy: -57.352
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -74.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -883.635485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.635485 (E_RNA)
where:
Base-Base interactions energy: -619.811
where: short stacking energy: -263.986
Base-Backbone interact. energy: -1.372
local terms energy: -262.451949
where:
bonds (distance) C4'-P energy: -39.604
bonds (distance) P-C4' energy: -55.935
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -70.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -746.474059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.474059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.474059 (E_RNA)
where:
Base-Base interactions energy: -507.182
where: short stacking energy: -224.201
Base-Backbone interact. energy: -0.978
local terms energy: -238.313743
where:
bonds (distance) C4'-P energy: -61.010
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -792.999529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.999529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.999529 (E_RNA)
where:
Base-Base interactions energy: -540.268
where: short stacking energy: -234.128
Base-Backbone interact. energy: 3.922
local terms energy: -256.653507
where:
bonds (distance) C4'-P energy: -42.874
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -532.731110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.731110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.731110 (E_RNA)
where:
Base-Base interactions energy: -329.379
where: short stacking energy: -174.545
Base-Backbone interact. energy: -1.462
local terms energy: -201.891056
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -48.211
flat angles C4'-P-C4' energy: -46.351
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -351.994545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.994545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.994545 (E_RNA)
where:
Base-Base interactions energy: -155.650
where: short stacking energy: -101.797
Base-Backbone interact. energy: -1.033
local terms energy: -195.311512
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -35.476
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1065.496394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.496394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.496394 (E_RNA)
where:
Base-Base interactions energy: -733.446
where: short stacking energy: -322.377
Base-Backbone interact. energy: -1.110
local terms energy: -330.939570
where:
bonds (distance) C4'-P energy: -56.058
bonds (distance) P-C4' energy: -64.096
flat angles C4'-P-C4' energy: -71.674
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -92.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1094.223430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.223430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.223430 (E_RNA)
where:
Base-Base interactions energy: -764.771
where: short stacking energy: -341.605
Base-Backbone interact. energy: -1.922
local terms energy: -327.530991
where:
bonds (distance) C4'-P energy: -59.177
bonds (distance) P-C4' energy: -60.175
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -95.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1060.446176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.446176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.446176 (E_RNA)
where:
Base-Base interactions energy: -738.681
where: short stacking energy: -315.365
Base-Backbone interact. energy: -1.297
local terms energy: -320.468599
where:
bonds (distance) C4'-P energy: -59.782
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -84.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -973.465461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.465461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.465461 (E_RNA)
where:
Base-Base interactions energy: -665.699
where: short stacking energy: -286.984
Base-Backbone interact. energy: -0.534
local terms energy: -307.232978
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -56.433
flat angles C4'-P-C4' energy: -69.504
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -79.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -940.357134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.357134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.357134 (E_RNA)
where:
Base-Base interactions energy: -653.337
where: short stacking energy: -291.439
Base-Backbone interact. energy: -0.739
local terms energy: -286.280832
where:
bonds (distance) C4'-P energy: -46.310
bonds (distance) P-C4' energy: -53.593
flat angles C4'-P-C4' energy: -69.103
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -73.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -897.805519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.805519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.805519 (E_RNA)
where:
Base-Base interactions energy: -620.459
where: short stacking energy: -267.847
Base-Backbone interact. energy: -0.804
local terms energy: -276.541933
where:
bonds (distance) C4'-P energy: -56.219
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -71.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -798.072953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.072953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.072953 (E_RNA)
where:
Base-Base interactions energy: -541.656
where: short stacking energy: -237.032
Base-Backbone interact. energy: -1.271
local terms energy: -255.146340
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -56.946
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -60.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -787.352395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.352395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.352395 (E_RNA)
where:
Base-Base interactions energy: -552.911
where: short stacking energy: -239.982
Base-Backbone interact. energy: -0.339
local terms energy: -234.102339
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -37.580
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -60.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -538.900729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.900729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.900729 (E_RNA)
where:
Base-Base interactions energy: -352.191
where: short stacking energy: -172.762
Base-Backbone interact. energy: -0.206
local terms energy: -186.504299
where:
bonds (distance) C4'-P energy: -48.145
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -47.453
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -376.718593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.718593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.718593 (E_RNA)
where:
Base-Base interactions energy: -193.846
where: short stacking energy: -121.880
Base-Backbone interact. energy: -1.748
local terms energy: -181.125068
where:
bonds (distance) C4'-P energy: -48.116
bonds (distance) P-C4' energy: -44.024
flat angles C4'-P-C4' energy: -43.232
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1070.922577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.922577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.922577 (E_RNA)
where:
Base-Base interactions energy: -739.189
where: short stacking energy: -307.229
Base-Backbone interact. energy: -0.110
local terms energy: -331.623021
where:
bonds (distance) C4'-P energy: -69.055
bonds (distance) P-C4' energy: -61.862
flat angles C4'-P-C4' energy: -65.628
flat angles P-C4'-P energy: -49.545
tors. eta vs tors. theta energy: -85.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1085.113171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.113171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.113171 (E_RNA)
where:
Base-Base interactions energy: -768.989
where: short stacking energy: -310.081
Base-Backbone interact. energy: 1.248
local terms energy: -317.371677
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -64.078
flat angles C4'-P-C4' energy: -64.942
flat angles P-C4'-P energy: -49.371
tors. eta vs tors. theta energy: -82.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1061.474196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.474196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.474196 (E_RNA)
where:
Base-Base interactions energy: -748.982
where: short stacking energy: -330.782
Base-Backbone interact. energy: -0.892
local terms energy: -311.599994
where:
bonds (distance) C4'-P energy: -53.939
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -93.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -958.858002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.858002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.858002 (E_RNA)
where:
Base-Base interactions energy: -669.422
where: short stacking energy: -279.826
Base-Backbone interact. energy: -0.851
local terms energy: -288.585148
where:
bonds (distance) C4'-P energy: -51.688
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -67.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -947.292628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.292628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.292628 (E_RNA)
where:
Base-Base interactions energy: -672.687
where: short stacking energy: -295.778
Base-Backbone interact. energy: -0.195
local terms energy: -274.410188
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -53.752
flat angles C4'-P-C4' energy: -57.336
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -81.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -890.516897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.516897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.516897 (E_RNA)
where:
Base-Base interactions energy: -607.413
where: short stacking energy: -260.396
Base-Backbone interact. energy: -0.764
local terms energy: -282.339591
where:
bonds (distance) C4'-P energy: -53.875
bonds (distance) P-C4' energy: -55.539
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -48.877
tors. eta vs tors. theta energy: -72.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -771.341541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.341541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.341541 (E_RNA)
where:
Base-Base interactions energy: -526.121
where: short stacking energy: -246.457
Base-Backbone interact. energy: 0.516
local terms energy: -245.736667
where:
bonds (distance) C4'-P energy: -53.576
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -51.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -799.799207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.799207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.799207 (E_RNA)
where:
Base-Base interactions energy: -546.937
where: short stacking energy: -239.660
Base-Backbone interact. energy: -1.162
local terms energy: -251.700222
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -59.516
flat angles C4'-P-C4' energy: -52.921
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -57.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -538.661608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.661608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.661608 (E_RNA)
where:
Base-Base interactions energy: -298.497
where: short stacking energy: -155.083
Base-Backbone interact. energy: 0.910
local terms energy: -241.075259
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -345.725510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.725510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.725510 (E_RNA)
where:
Base-Base interactions energy: -182.124
where: short stacking energy: -87.327
Base-Backbone interact. energy: -2.927
local terms energy: -160.674447
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -49.916
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: 12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1066.374496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.374496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.374496 (E_RNA)
where:
Base-Base interactions energy: -741.131
where: short stacking energy: -315.220
Base-Backbone interact. energy: -1.436
local terms energy: -323.807617
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -70.110
flat angles P-C4'-P energy: -44.813
tors. eta vs tors. theta energy: -83.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1092.271299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.271299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.271299 (E_RNA)
where:
Base-Base interactions energy: -756.409
where: short stacking energy: -318.244
Base-Backbone interact. energy: -0.606
local terms energy: -335.256071
where:
bonds (distance) C4'-P energy: -63.292
bonds (distance) P-C4' energy: -62.657
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -47.334
tors. eta vs tors. theta energy: -88.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1069.246129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.246129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.246129 (E_RNA)
where:
Base-Base interactions energy: -747.700
where: short stacking energy: -334.241
Base-Backbone interact. energy: 1.464
local terms energy: -323.010765
where:
bonds (distance) C4'-P energy: -60.595
bonds (distance) P-C4' energy: -55.672
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -39.541
tors. eta vs tors. theta energy: -96.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -990.466133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.466133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.466133 (E_RNA)
where:
Base-Base interactions energy: -709.873
where: short stacking energy: -303.709
Base-Backbone interact. energy: -1.265
local terms energy: -279.328064
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -85.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -959.650122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.650122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.650122 (E_RNA)
where:
Base-Base interactions energy: -675.143
where: short stacking energy: -299.156
Base-Backbone interact. energy: 0.217
local terms energy: -284.723863
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -62.752
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: -84.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -870.255085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.255085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.255085 (E_RNA)
where:
Base-Base interactions energy: -611.513
where: short stacking energy: -261.401
Base-Backbone interact. energy: 0.750
local terms energy: -259.492716
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -52.559
flat angles C4'-P-C4' energy: -56.847
flat angles P-C4'-P energy: -33.894
tors. eta vs tors. theta energy: -65.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -849.917612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.917612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.917612 (E_RNA)
where:
Base-Base interactions energy: -584.034
where: short stacking energy: -259.250
Base-Backbone interact. energy: -0.910
local terms energy: -264.972873
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -57.882
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: -74.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -720.036412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.036412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.036412 (E_RNA)
where:
Base-Base interactions energy: -493.683
where: short stacking energy: -201.339
Base-Backbone interact. energy: -0.816
local terms energy: -225.537010
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -52.452
flat angles C4'-P-C4' energy: -48.798
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -42.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -529.096464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.096464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.096464 (E_RNA)
where:
Base-Base interactions energy: -311.947
where: short stacking energy: -159.050
Base-Backbone interact. energy: 0.067
local terms energy: -217.217180
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -63.640
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -366.315985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.315985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.315985 (E_RNA)
where:
Base-Base interactions energy: -182.143
where: short stacking energy: -93.600
Base-Backbone interact. energy: 1.252
local terms energy: -185.425034
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1077.697979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.697979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.697979 (E_RNA)
where:
Base-Base interactions energy: -765.631
where: short stacking energy: -327.503
Base-Backbone interact. energy: -1.897
local terms energy: -310.170403
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -52.468
flat angles C4'-P-C4' energy: -70.505
flat angles P-C4'-P energy: -42.939
tors. eta vs tors. theta energy: -89.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1079.477220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.477220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.477220 (E_RNA)
where:
Base-Base interactions energy: -739.664
where: short stacking energy: -317.998
Base-Backbone interact. energy: -1.603
local terms energy: -338.210225
where:
bonds (distance) C4'-P energy: -62.705
bonds (distance) P-C4' energy: -60.041
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -52.770
tors. eta vs tors. theta energy: -91.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1066.931719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.931719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.931719 (E_RNA)
where:
Base-Base interactions energy: -761.067
where: short stacking energy: -324.941
Base-Backbone interact. energy: -0.377
local terms energy: -305.488027
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -65.617
flat angles C4'-P-C4' energy: -65.776
flat angles P-C4'-P energy: -49.118
tors. eta vs tors. theta energy: -86.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -964.670576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.670576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.670576 (E_RNA)
where:
Base-Base interactions energy: -645.852
where: short stacking energy: -291.178
Base-Backbone interact. energy: -0.828
local terms energy: -317.990301
where:
bonds (distance) C4'-P energy: -59.149
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -70.934
flat angles P-C4'-P energy: -44.308
tors. eta vs tors. theta energy: -87.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -999.166795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.166795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.166795 (E_RNA)
where:
Base-Base interactions energy: -695.831
where: short stacking energy: -307.866
Base-Backbone interact. energy: -1.137
local terms energy: -302.198186
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -56.592
flat angles C4'-P-C4' energy: -68.379
flat angles P-C4'-P energy: -44.347
tors. eta vs tors. theta energy: -80.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -876.171229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.171229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.171229 (E_RNA)
where:
Base-Base interactions energy: -602.592
where: short stacking energy: -252.426
Base-Backbone interact. energy: -1.378
local terms energy: -272.201693
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -68.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -852.648650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.648650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.648650 (E_RNA)
where:
Base-Base interactions energy: -590.331
where: short stacking energy: -261.921
Base-Backbone interact. energy: -1.804
local terms energy: -260.514031
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -58.034
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -78.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -715.756233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.756233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.756233 (E_RNA)
where:
Base-Base interactions energy: -481.827
where: short stacking energy: -203.375
Base-Backbone interact. energy: -0.307
local terms energy: -233.621656
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -52.945
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -47.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -469.115289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.115289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.115289 (E_RNA)
where:
Base-Base interactions energy: -302.068
where: short stacking energy: -160.647
Base-Backbone interact. energy: -0.435
local terms energy: -166.612792
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -42.840
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -384.848951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.848951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.848951 (E_RNA)
where:
Base-Base interactions energy: -203.907
where: short stacking energy: -106.336
Base-Backbone interact. energy: 1.729
local terms energy: -182.670806
where:
bonds (distance) C4'-P energy: -42.908
bonds (distance) P-C4' energy: -55.415
flat angles C4'-P-C4' energy: -46.912
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1104.797491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.797491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.797491 (E_RNA)
where:
Base-Base interactions energy: -772.368
where: short stacking energy: -349.213
Base-Backbone interact. energy: -0.315
local terms energy: -332.114613
where:
bonds (distance) C4'-P energy: -62.578
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -46.983
tors. eta vs tors. theta energy: -99.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1057.449991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.449991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.449991 (E_RNA)
where:
Base-Base interactions energy: -738.316
where: short stacking energy: -320.916
Base-Backbone interact. energy: 0.080
local terms energy: -319.214135
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -69.012
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -85.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -991.123497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.123497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.123497 (E_RNA)
where:
Base-Base interactions energy: -689.505
where: short stacking energy: -297.540
Base-Backbone interact. energy: 0.510
local terms energy: -302.128445
where:
bonds (distance) C4'-P energy: -59.542
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -77.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1022.278939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.278939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.278939 (E_RNA)
where:
Base-Base interactions energy: -713.938
where: short stacking energy: -308.257
Base-Backbone interact. energy: -1.378
local terms energy: -306.963327
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -54.215
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -86.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -972.576513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.576513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.576513 (E_RNA)
where:
Base-Base interactions energy: -670.866
where: short stacking energy: -291.304
Base-Backbone interact. energy: -0.647
local terms energy: -301.062974
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -86.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -901.407796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.407796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.407796 (E_RNA)
where:
Base-Base interactions energy: -624.505
where: short stacking energy: -260.744
Base-Backbone interact. energy: -0.962
local terms energy: -275.940697
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -69.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -740.003708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.003708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.003708 (E_RNA)
where:
Base-Base interactions energy: -492.329
where: short stacking energy: -201.633
Base-Backbone interact. energy: -0.680
local terms energy: -246.994920
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -59.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -836.066486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.066486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.066486 (E_RNA)
where:
Base-Base interactions energy: -553.460
where: short stacking energy: -244.944
Base-Backbone interact. energy: -0.712
local terms energy: -281.894635
where:
bonds (distance) C4'-P energy: -54.059
bonds (distance) P-C4' energy: -64.853
flat angles C4'-P-C4' energy: -56.133
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -68.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -450.431686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.431686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.431686 (E_RNA)
where:
Base-Base interactions energy: -241.344
where: short stacking energy: -130.086
Base-Backbone interact. energy: -0.859
local terms energy: -208.228596
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -45.790
flat angles P-C4'-P energy: -30.565
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -414.881207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.881207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.881207 (E_RNA)
where:
Base-Base interactions energy: -238.063
where: short stacking energy: -123.616
Base-Backbone interact. energy: 1.828
local terms energy: -178.646456
where:
bonds (distance) C4'-P energy: -51.247
bonds (distance) P-C4' energy: -55.421
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1096.232430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.232430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.232430 (E_RNA)
where:
Base-Base interactions energy: -755.121
where: short stacking energy: -336.455
Base-Backbone interact. energy: -1.274
local terms energy: -339.837557
where:
bonds (distance) C4'-P energy: -66.497
bonds (distance) P-C4' energy: -65.838
flat angles C4'-P-C4' energy: -67.848
flat angles P-C4'-P energy: -46.360
tors. eta vs tors. theta energy: -93.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1060.440914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.440914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.440914 (E_RNA)
where:
Base-Base interactions energy: -729.160
where: short stacking energy: -314.043
Base-Backbone interact. energy: -1.923
local terms energy: -329.358398
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -59.979
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -52.230
tors. eta vs tors. theta energy: -90.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -977.649690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.649690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.649690 (E_RNA)
where:
Base-Base interactions energy: -668.131
where: short stacking energy: -305.129
Base-Backbone interact. energy: -1.038
local terms energy: -308.480292
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -53.365
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -93.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1039.701585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.701585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.701585 (E_RNA)
where:
Base-Base interactions energy: -752.617
where: short stacking energy: -319.927
Base-Backbone interact. energy: -0.478
local terms energy: -286.607299
where:
bonds (distance) C4'-P energy: -45.673
bonds (distance) P-C4' energy: -52.456
flat angles C4'-P-C4' energy: -65.962
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -86.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -940.570203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.570203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.570203 (E_RNA)
where:
Base-Base interactions energy: -662.172
where: short stacking energy: -282.064
Base-Backbone interact. energy: 1.518
local terms energy: -279.915672
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: -71.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -906.145867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.145867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.145867 (E_RNA)
where:
Base-Base interactions energy: -633.808
where: short stacking energy: -274.035
Base-Backbone interact. energy: -1.337
local terms energy: -271.000426
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -40.857
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -78.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -842.886616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.886616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.886616 (E_RNA)
where:
Base-Base interactions energy: -573.504
where: short stacking energy: -236.943
Base-Backbone interact. energy: -0.824
local terms energy: -268.557659
where:
bonds (distance) C4'-P energy: -63.916
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -53.185
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -55.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -865.342756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.342756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.342756 (E_RNA)
where:
Base-Base interactions energy: -607.355
where: short stacking energy: -269.839
Base-Backbone interact. energy: -0.930
local terms energy: -257.058090
where:
bonds (distance) C4'-P energy: -43.436
bonds (distance) P-C4' energy: -47.611
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -73.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -475.583840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.583840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.583840 (E_RNA)
where:
Base-Base interactions energy: -279.532
where: short stacking energy: -149.399
Base-Backbone interact. energy: -1.003
local terms energy: -195.048909
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -418.192276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.192276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.192276 (E_RNA)
where:
Base-Base interactions energy: -229.041
where: short stacking energy: -125.069
Base-Backbone interact. energy: -3.046
local terms energy: -186.105711
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1113.009859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.009859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.009859 (E_RNA)
where:
Base-Base interactions energy: -774.735
where: short stacking energy: -338.799
Base-Backbone interact. energy: -1.282
local terms energy: -336.993170
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -65.029
flat angles C4'-P-C4' energy: -73.418
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -96.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1065.827817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.827817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.827817 (E_RNA)
where:
Base-Base interactions energy: -729.351
where: short stacking energy: -323.495
Base-Backbone interact. energy: -1.793
local terms energy: -334.683149
where:
bonds (distance) C4'-P energy: -63.125
bonds (distance) P-C4' energy: -61.232
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -92.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1061.168779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.168779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.168779 (E_RNA)
where:
Base-Base interactions energy: -742.146
where: short stacking energy: -306.936
Base-Backbone interact. energy: -1.118
local terms energy: -317.904249
where:
bonds (distance) C4'-P energy: -45.817
bonds (distance) P-C4' energy: -60.393
flat angles C4'-P-C4' energy: -75.857
flat angles P-C4'-P energy: -47.620
tors. eta vs tors. theta energy: -88.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -981.306830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.306830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.306830 (E_RNA)
where:
Base-Base interactions energy: -677.552
where: short stacking energy: -298.991
Base-Backbone interact. energy: -0.478
local terms energy: -303.277268
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -57.801
flat angles C4'-P-C4' energy: -65.589
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -82.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -913.270531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.270531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.270531 (E_RNA)
where:
Base-Base interactions energy: -626.172
where: short stacking energy: -273.164
Base-Backbone interact. energy: -0.939
local terms energy: -286.159960
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -46.941
flat angles C4'-P-C4' energy: -62.719
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -71.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -901.028803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.028803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.028803 (E_RNA)
where:
Base-Base interactions energy: -614.371
where: short stacking energy: -252.007
Base-Backbone interact. energy: -0.099
local terms energy: -286.559434
where:
bonds (distance) C4'-P energy: -56.387
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -60.942
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -81.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -872.822646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.822646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.822646 (E_RNA)
where:
Base-Base interactions energy: -592.094
where: short stacking energy: -256.902
Base-Backbone interact. energy: 0.906
local terms energy: -281.635344
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -73.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -808.017690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.017690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.017690 (E_RNA)
where:
Base-Base interactions energy: -554.679
where: short stacking energy: -239.762
Base-Backbone interact. energy: -0.121
local terms energy: -253.217911
where:
bonds (distance) C4'-P energy: -59.480
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -63.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -426.212178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.212178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.212178 (E_RNA)
where:
Base-Base interactions energy: -242.411
where: short stacking energy: -126.292
Base-Backbone interact. energy: 1.414
local terms energy: -185.215323
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -48.520
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -405.909166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.909166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.909166 (E_RNA)
where:
Base-Base interactions energy: -208.649
where: short stacking energy: -117.709
Base-Backbone interact. energy: -1.240
local terms energy: -196.020071
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -47.615
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1103.105847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.105847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.105847 (E_RNA)
where:
Base-Base interactions energy: -769.152
where: short stacking energy: -339.503
Base-Backbone interact. energy: -0.299
local terms energy: -333.655002
where:
bonds (distance) C4'-P energy: -54.658
bonds (distance) P-C4' energy: -65.724
flat angles C4'-P-C4' energy: -70.556
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -97.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1092.386198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.386198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.386198 (E_RNA)
where:
Base-Base interactions energy: -759.239
where: short stacking energy: -320.520
Base-Backbone interact. energy: -1.757
local terms energy: -331.390540
where:
bonds (distance) C4'-P energy: -62.769
bonds (distance) P-C4' energy: -59.679
flat angles C4'-P-C4' energy: -66.419
flat angles P-C4'-P energy: -47.190
tors. eta vs tors. theta energy: -95.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1014.720744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.720744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.720744 (E_RNA)
where:
Base-Base interactions energy: -692.963
where: short stacking energy: -283.612
Base-Backbone interact. energy: -1.783
local terms energy: -319.974348
where:
bonds (distance) C4'-P energy: -68.953
bonds (distance) P-C4' energy: -65.156
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: -81.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -998.077521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.077521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.077521 (E_RNA)
where:
Base-Base interactions energy: -695.572
where: short stacking energy: -310.769
Base-Backbone interact. energy: -1.444
local terms energy: -301.061827
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -58.445
flat angles C4'-P-C4' energy: -67.604
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -89.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -917.587750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.587750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.587750 (E_RNA)
where:
Base-Base interactions energy: -638.690
where: short stacking energy: -253.977
Base-Backbone interact. energy: 2.676
local terms energy: -281.574041
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -60.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -903.430436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.430436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.430436 (E_RNA)
where:
Base-Base interactions energy: -639.671
where: short stacking energy: -256.981
Base-Backbone interact. energy: 0.123
local terms energy: -263.882215
where:
bonds (distance) C4'-P energy: -53.119
bonds (distance) P-C4' energy: -46.782
flat angles C4'-P-C4' energy: -63.001
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -65.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -854.929145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.929145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.929145 (E_RNA)
where:
Base-Base interactions energy: -583.390
where: short stacking energy: -249.402
Base-Backbone interact. energy: -1.126
local terms energy: -270.413078
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -63.211
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -63.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -841.414440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.414440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.414440 (E_RNA)
where:
Base-Base interactions energy: -601.190
where: short stacking energy: -260.548
Base-Backbone interact. energy: -0.406
local terms energy: -239.819282
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -46.878
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -62.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -468.759946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.759946 (E_RNA)
where:
Base-Base interactions energy: -280.134
where: short stacking energy: -155.430
Base-Backbone interact. energy: 2.618
local terms energy: -191.244439
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -52.211
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -424.277507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.277507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.277507 (E_RNA)
where:
Base-Base interactions energy: -258.000
where: short stacking energy: -141.236
Base-Backbone interact. energy: 2.272
local terms energy: -168.548947
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1111.271719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.271719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.271719 (E_RNA)
where:
Base-Base interactions energy: -764.495
where: short stacking energy: -331.033
Base-Backbone interact. energy: -2.321
local terms energy: -344.455390
where:
bonds (distance) C4'-P energy: -59.952
bonds (distance) P-C4' energy: -70.224
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -47.749
tors. eta vs tors. theta energy: -90.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1083.987876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.987876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.987876 (E_RNA)
where:
Base-Base interactions energy: -763.312
where: short stacking energy: -333.178
Base-Backbone interact. energy: -0.625
local terms energy: -320.051681
where:
bonds (distance) C4'-P energy: -58.294
bonds (distance) P-C4' energy: -57.652
flat angles C4'-P-C4' energy: -67.055
flat angles P-C4'-P energy: -40.585
tors. eta vs tors. theta energy: -96.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1031.730008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.730008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.730008 (E_RNA)
where:
Base-Base interactions energy: -724.360
where: short stacking energy: -310.197
Base-Backbone interact. energy: -1.874
local terms energy: -305.496094
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -66.614
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -83.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -985.478222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.478222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.478222 (E_RNA)
where:
Base-Base interactions energy: -679.760
where: short stacking energy: -295.510
Base-Backbone interact. energy: -1.184
local terms energy: -304.534839
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -66.328
flat angles C4'-P-C4' energy: -64.046
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -85.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -953.254254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.254254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.254254 (E_RNA)
where:
Base-Base interactions energy: -652.141
where: short stacking energy: -278.044
Base-Backbone interact. energy: -1.997
local terms energy: -299.116953
where:
bonds (distance) C4'-P energy: -55.205
bonds (distance) P-C4' energy: -62.508
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -894.316577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.316577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.316577 (E_RNA)
where:
Base-Base interactions energy: -616.702
where: short stacking energy: -268.699
Base-Backbone interact. energy: -2.814
local terms energy: -274.800487
where:
bonds (distance) C4'-P energy: -42.613
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -65.204
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -71.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -848.434872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.434872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.434872 (E_RNA)
where:
Base-Base interactions energy: -573.610
where: short stacking energy: -250.083
Base-Backbone interact. energy: -1.504
local terms energy: -273.320797
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -59.867
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: -64.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -846.405938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.405938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.405938 (E_RNA)
where:
Base-Base interactions energy: -591.745
where: short stacking energy: -253.658
Base-Backbone interact. energy: 0.390
local terms energy: -255.051096
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -53.344
flat angles C4'-P-C4' energy: -54.762
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -68.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -453.090411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.090411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.090411 (E_RNA)
where:
Base-Base interactions energy: -244.920
where: short stacking energy: -143.929
Base-Backbone interact. energy: -1.880
local terms energy: -206.290983
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -51.588
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -426.598393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.598393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.598393 (E_RNA)
where:
Base-Base interactions energy: -230.901
where: short stacking energy: -145.599
Base-Backbone interact. energy: 0.815
local terms energy: -196.512206
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -53.766
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1114.372516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.372516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.372516 (E_RNA)
where:
Base-Base interactions energy: -794.089
where: short stacking energy: -325.085
Base-Backbone interact. energy: 4.677
local terms energy: -324.959852
where:
bonds (distance) C4'-P energy: -64.504
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -68.192
flat angles P-C4'-P energy: -45.046
tors. eta vs tors. theta energy: -94.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1088.490352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.490352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.490352 (E_RNA)
where:
Base-Base interactions energy: -763.181
where: short stacking energy: -333.785
Base-Backbone interact. energy: -0.850
local terms energy: -324.459468
where:
bonds (distance) C4'-P energy: -57.467
bonds (distance) P-C4' energy: -59.000
flat angles C4'-P-C4' energy: -69.757
flat angles P-C4'-P energy: -45.831
tors. eta vs tors. theta energy: -92.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1018.335954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.335954 (E_RNA)
where:
Base-Base interactions energy: -711.214
where: short stacking energy: -304.911
Base-Backbone interact. energy: -0.755
local terms energy: -306.367610
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -60.749
flat angles C4'-P-C4' energy: -64.611
flat angles P-C4'-P energy: -40.132
tors. eta vs tors. theta energy: -87.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -980.012585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.012585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.012585 (E_RNA)
where:
Base-Base interactions energy: -699.431
where: short stacking energy: -274.428
Base-Backbone interact. energy: -0.593
local terms energy: -279.988713
where:
bonds (distance) C4'-P energy: -61.935
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -78.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -940.187752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.187752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.187752 (E_RNA)
where:
Base-Base interactions energy: -654.916
where: short stacking energy: -285.257
Base-Backbone interact. energy: -0.788
local terms energy: -284.483317
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -56.257
flat angles C4'-P-C4' energy: -62.362
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -78.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -896.141485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.141485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.141485 (E_RNA)
where:
Base-Base interactions energy: -636.456
where: short stacking energy: -267.568
Base-Backbone interact. energy: -0.912
local terms energy: -258.774231
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -70.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -919.239343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.239343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.239343 (E_RNA)
where:
Base-Base interactions energy: -654.736
where: short stacking energy: -276.797
Base-Backbone interact. energy: -0.982
local terms energy: -263.521153
where:
bonds (distance) C4'-P energy: -45.641
bonds (distance) P-C4' energy: -43.934
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -69.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -843.226021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.226021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.226021 (E_RNA)
where:
Base-Base interactions energy: -569.107
where: short stacking energy: -242.685
Base-Backbone interact. energy: -0.686
local terms energy: -273.432854
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -57.312
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -65.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -481.181087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.181087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.181087 (E_RNA)
where:
Base-Base interactions energy: -290.839
where: short stacking energy: -131.533
Base-Backbone interact. energy: -1.375
local terms energy: -188.967796
where:
bonds (distance) C4'-P energy: -52.593
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -410.286993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.286993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.286993 (E_RNA)
where:
Base-Base interactions energy: -256.842
where: short stacking energy: -131.196
Base-Backbone interact. energy: -0.310
local terms energy: -153.135529
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1125.637639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.637639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.637639 (E_RNA)
where:
Base-Base interactions energy: -793.360
where: short stacking energy: -335.199
Base-Backbone interact. energy: -0.440
local terms energy: -331.837684
where:
bonds (distance) C4'-P energy: -59.151
bonds (distance) P-C4' energy: -62.687
flat angles C4'-P-C4' energy: -70.670
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -93.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1090.013322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.013322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.013322 (E_RNA)
where:
Base-Base interactions energy: -759.136
where: short stacking energy: -327.392
Base-Backbone interact. energy: -0.346
local terms energy: -330.531353
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -57.174
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1061.997461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.997461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.997461 (E_RNA)
where:
Base-Base interactions energy: -735.201
where: short stacking energy: -325.289
Base-Backbone interact. energy: -0.968
local terms energy: -325.828096
where:
bonds (distance) C4'-P energy: -67.984
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -95.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1015.823604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.823604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.823604 (E_RNA)
where:
Base-Base interactions energy: -718.708
where: short stacking energy: -294.159
Base-Backbone interact. energy: 1.720
local terms energy: -298.835509
where:
bonds (distance) C4'-P energy: -46.578
bonds (distance) P-C4' energy: -48.560
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -95.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -952.555061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.555061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.555061 (E_RNA)
where:
Base-Base interactions energy: -639.567
where: short stacking energy: -286.445
Base-Backbone interact. energy: -0.213
local terms energy: -312.775252
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: -87.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -886.128420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.128420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.128420 (E_RNA)
where:
Base-Base interactions energy: -609.429
where: short stacking energy: -251.035
Base-Backbone interact. energy: -1.900
local terms energy: -274.799129
where:
bonds (distance) C4'-P energy: -54.376
bonds (distance) P-C4' energy: -62.530
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -63.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -845.533889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.533889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.533889 (E_RNA)
where:
Base-Base interactions energy: -597.363
where: short stacking energy: -243.265
Base-Backbone interact. energy: -0.959
local terms energy: -247.212480
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -46.838
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -55.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -795.192752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.192752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.192752 (E_RNA)
where:
Base-Base interactions energy: -552.895
where: short stacking energy: -242.037
Base-Backbone interact. energy: -0.642
local terms energy: -241.655014
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -55.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -499.952393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.952393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.952393 (E_RNA)
where:
Base-Base interactions energy: -290.861
where: short stacking energy: -142.469
Base-Backbone interact. energy: -2.004
local terms energy: -207.086890
where:
bonds (distance) C4'-P energy: -40.109
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -39.274
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -447.419475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.419475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.419475 (E_RNA)
where:
Base-Base interactions energy: -265.034
where: short stacking energy: -141.488
Base-Backbone interact. energy: 1.004
local terms energy: -183.388595
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1130.646238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.646238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.646238 (E_RNA)
where:
Base-Base interactions energy: -796.934
where: short stacking energy: -310.437
Base-Backbone interact. energy: -0.035
local terms energy: -333.677800
where:
bonds (distance) C4'-P energy: -61.191
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -73.808
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -90.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1081.747602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.747602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.747602 (E_RNA)
where:
Base-Base interactions energy: -764.784
where: short stacking energy: -343.546
Base-Backbone interact. energy: -1.247
local terms energy: -315.716686
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -57.043
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -97.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1044.099428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.099428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.099428 (E_RNA)
where:
Base-Base interactions energy: -742.881
where: short stacking energy: -328.241
Base-Backbone interact. energy: -0.891
local terms energy: -300.327712
where:
bonds (distance) C4'-P energy: -47.641
bonds (distance) P-C4' energy: -48.738
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -44.525
tors. eta vs tors. theta energy: -90.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1005.612369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.612369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.612369 (E_RNA)
where:
Base-Base interactions energy: -696.752
where: short stacking energy: -291.578
Base-Backbone interact. energy: -0.112
local terms energy: -308.747489
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -69.626
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -84.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -960.313743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.313743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.313743 (E_RNA)
where:
Base-Base interactions energy: -653.412
where: short stacking energy: -304.298
Base-Backbone interact. energy: -1.104
local terms energy: -305.796981
where:
bonds (distance) C4'-P energy: -51.500
bonds (distance) P-C4' energy: -52.452
flat angles C4'-P-C4' energy: -71.725
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -83.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -884.234410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.234410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.234410 (E_RNA)
where:
Base-Base interactions energy: -600.979
where: short stacking energy: -272.740
Base-Backbone interact. energy: -0.194
local terms energy: -283.062055
where:
bonds (distance) C4'-P energy: -66.945
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -48.900
tors. eta vs tors. theta energy: -67.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -837.548055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.548055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.548055 (E_RNA)
where:
Base-Base interactions energy: -575.393
where: short stacking energy: -239.127
Base-Backbone interact. energy: -1.671
local terms energy: -260.483954
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -45.615
flat angles C4'-P-C4' energy: -57.328
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -62.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -799.871377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.871377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.871377 (E_RNA)
where:
Base-Base interactions energy: -550.293
where: short stacking energy: -233.465
Base-Backbone interact. energy: 0.957
local terms energy: -250.535275
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -53.989
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: -56.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -552.328699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.328699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.328699 (E_RNA)
where:
Base-Base interactions energy: -329.240
where: short stacking energy: -164.882
Base-Backbone interact. energy: -1.723
local terms energy: -221.365704
where:
bonds (distance) C4'-P energy: -54.252
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -51.379
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -34.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -454.357808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.357808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.357808 (E_RNA)
where:
Base-Base interactions energy: -249.532
where: short stacking energy: -133.395
Base-Backbone interact. energy: -0.537
local terms energy: -204.289673
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1124.141418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.141418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.141418 (E_RNA)
where:
Base-Base interactions energy: -793.783
where: short stacking energy: -327.400
Base-Backbone interact. energy: -2.874
local terms energy: -327.485137
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -65.571
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -89.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1088.869478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.869478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.869478 (E_RNA)
where:
Base-Base interactions energy: -764.097
where: short stacking energy: -335.831
Base-Backbone interact. energy: -1.339
local terms energy: -323.433126
where:
bonds (distance) C4'-P energy: -60.447
bonds (distance) P-C4' energy: -62.310
flat angles C4'-P-C4' energy: -68.091
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -92.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1066.144953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.144953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.144953 (E_RNA)
where:
Base-Base interactions energy: -742.020
where: short stacking energy: -315.647
Base-Backbone interact. energy: -1.167
local terms energy: -322.957263
where:
bonds (distance) C4'-P energy: -61.739
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -67.779
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -89.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1010.900912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.900912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.900912 (E_RNA)
where:
Base-Base interactions energy: -703.024
where: short stacking energy: -293.368
Base-Backbone interact. energy: -1.815
local terms energy: -306.062017
where:
bonds (distance) C4'-P energy: -59.157
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -63.840
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -82.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -949.778345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.778345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.778345 (E_RNA)
where:
Base-Base interactions energy: -645.402
where: short stacking energy: -290.595
Base-Backbone interact. energy: -0.449
local terms energy: -303.927281
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -57.460
flat angles C4'-P-C4' energy: -65.932
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -84.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -908.137658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.137658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.137658 (E_RNA)
where:
Base-Base interactions energy: -627.023
where: short stacking energy: -272.353
Base-Backbone interact. energy: 0.462
local terms energy: -281.576310
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -54.646
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: -75.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -834.562950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.562950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.562950 (E_RNA)
where:
Base-Base interactions energy: -565.806
where: short stacking energy: -247.626
Base-Backbone interact. energy: 0.003
local terms energy: -268.759639
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -54.148
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -34.877
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -801.607040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.607040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.607040 (E_RNA)
where:
Base-Base interactions energy: -546.182
where: short stacking energy: -225.135
Base-Backbone interact. energy: -0.918
local terms energy: -254.507606
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -59.839
flat angles P-C4'-P energy: -36.192
tors. eta vs tors. theta energy: -54.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -585.322225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.322225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.322225 (E_RNA)
where:
Base-Base interactions energy: -340.792
where: short stacking energy: -163.512
Base-Backbone interact. energy: 0.150
local terms energy: -244.679721
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -64.195
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -451.795159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.795159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.795159 (E_RNA)
where:
Base-Base interactions energy: -261.273
where: short stacking energy: -132.279
Base-Backbone interact. energy: -0.999
local terms energy: -189.522883
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -54.421
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1121.580628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.580628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.580628 (E_RNA)
where:
Base-Base interactions energy: -795.667
where: short stacking energy: -335.741
Base-Backbone interact. energy: 0.311
local terms energy: -326.224994
where:
bonds (distance) C4'-P energy: -61.776
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -96.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1083.274395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.274395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.274395 (E_RNA)
where:
Base-Base interactions energy: -756.542
where: short stacking energy: -327.217
Base-Backbone interact. energy: -0.337
local terms energy: -326.395604
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -56.250
tors. eta vs tors. theta energy: -91.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1056.499611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.499611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.499611 (E_RNA)
where:
Base-Base interactions energy: -738.642
where: short stacking energy: -322.646
Base-Backbone interact. energy: -0.932
local terms energy: -316.925028
where:
bonds (distance) C4'-P energy: -62.088
bonds (distance) P-C4' energy: -58.979
flat angles C4'-P-C4' energy: -59.906
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -91.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1000.285122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.285122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.285122 (E_RNA)
where:
Base-Base interactions energy: -691.015
where: short stacking energy: -281.004
Base-Backbone interact. energy: -2.836
local terms energy: -306.434316
where:
bonds (distance) C4'-P energy: -53.087
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -75.166
flat angles P-C4'-P energy: -42.521
tors. eta vs tors. theta energy: -83.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -971.848652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.848652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.848652 (E_RNA)
where:
Base-Base interactions energy: -663.758
where: short stacking energy: -292.721
Base-Backbone interact. energy: -1.599
local terms energy: -306.491951
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -63.142
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -91.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -888.522079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.522079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.522079 (E_RNA)
where:
Base-Base interactions energy: -610.803
where: short stacking energy: -272.301
Base-Backbone interact. energy: 1.661
local terms energy: -279.380758
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -72.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -848.673701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.673701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.673701 (E_RNA)
where:
Base-Base interactions energy: -575.169
where: short stacking energy: -261.925
Base-Backbone interact. energy: -0.281
local terms energy: -273.223749
where:
bonds (distance) C4'-P energy: -53.121
bonds (distance) P-C4' energy: -53.228
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -36.007
tors. eta vs tors. theta energy: -78.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -800.575109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.575109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.575109 (E_RNA)
where:
Base-Base interactions energy: -533.377
where: short stacking energy: -206.779
Base-Backbone interact. energy: -1.104
local terms energy: -266.093559
where:
bonds (distance) C4'-P energy: -56.283
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -61.682
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -48.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -600.395631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.395631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.395631 (E_RNA)
where:
Base-Base interactions energy: -378.958
where: short stacking energy: -173.441
Base-Backbone interact. energy: -1.084
local terms energy: -220.353289
where:
bonds (distance) C4'-P energy: -54.527
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -35.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -460.475624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.475624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.475624 (E_RNA)
where:
Base-Base interactions energy: -258.821
where: short stacking energy: -135.081
Base-Backbone interact. energy: -1.632
local terms energy: -200.022533
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1119.036267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.036267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.036267 (E_RNA)
where:
Base-Base interactions energy: -789.719
where: short stacking energy: -332.388
Base-Backbone interact. energy: -0.378
local terms energy: -328.939299
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -57.445
flat angles C4'-P-C4' energy: -64.710
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -100.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1110.306171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.306171 (E_RNA)
where:
Base-Base interactions energy: -794.801
where: short stacking energy: -320.303
Base-Backbone interact. energy: -1.053
local terms energy: -314.452262
where:
bonds (distance) C4'-P energy: -49.939
bonds (distance) P-C4' energy: -65.444
flat angles C4'-P-C4' energy: -73.693
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -88.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1047.869471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.869471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.869471 (E_RNA)
where:
Base-Base interactions energy: -734.974
where: short stacking energy: -323.836
Base-Backbone interact. energy: -0.565
local terms energy: -312.330083
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -57.447
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -95.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1000.215492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.215492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.215492 (E_RNA)
where:
Base-Base interactions energy: -690.271
where: short stacking energy: -294.258
Base-Backbone interact. energy: -0.798
local terms energy: -309.146611
where:
bonds (distance) C4'-P energy: -51.104
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -73.924
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -86.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -975.637747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.637747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.637747 (E_RNA)
where:
Base-Base interactions energy: -667.290
where: short stacking energy: -297.709
Base-Backbone interact. energy: -0.094
local terms energy: -308.253496
where:
bonds (distance) C4'-P energy: -48.237
bonds (distance) P-C4' energy: -60.422
flat angles C4'-P-C4' energy: -66.090
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -84.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -884.327210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.327210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.327210 (E_RNA)
where:
Base-Base interactions energy: -613.461
where: short stacking energy: -269.735
Base-Backbone interact. energy: -1.135
local terms energy: -269.731574
where:
bonds (distance) C4'-P energy: -44.610
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: -70.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -847.659115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.659115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.659115 (E_RNA)
where:
Base-Base interactions energy: -584.569
where: short stacking energy: -240.893
Base-Backbone interact. energy: -1.107
local terms energy: -261.983050
where:
bonds (distance) C4'-P energy: -44.208
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -67.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -705.478120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.478120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.478120 (E_RNA)
where:
Base-Base interactions energy: -487.648
where: short stacking energy: -199.247
Base-Backbone interact. energy: 1.131
local terms energy: -218.960895
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -43.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -442.187344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.187344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.187344 (E_RNA)
where:
Base-Base interactions energy: -222.649
where: short stacking energy: -113.816
Base-Backbone interact. energy: -2.027
local terms energy: -217.511231
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -38.075
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -603.636396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.636396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.636396 (E_RNA)
where:
Base-Base interactions energy: -397.149
where: short stacking energy: -194.379
Base-Backbone interact. energy: -0.507
local terms energy: -205.980315
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1122.789082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.789082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.789082 (E_RNA)
where:
Base-Base interactions energy: -785.011
where: short stacking energy: -321.349
Base-Backbone interact. energy: -0.287
local terms energy: -337.491011
where:
bonds (distance) C4'-P energy: -66.382
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -100.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1093.927296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.927296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.927296 (E_RNA)
where:
Base-Base interactions energy: -772.599
where: short stacking energy: -320.247
Base-Backbone interact. energy: -2.215
local terms energy: -319.113386
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -64.442
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -87.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1047.862674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.862674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.862674 (E_RNA)
where:
Base-Base interactions energy: -744.848
where: short stacking energy: -328.748
Base-Backbone interact. energy: -0.818
local terms energy: -302.196355
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -94.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1000.424582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.424582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.424582 (E_RNA)
where:
Base-Base interactions energy: -692.581
where: short stacking energy: -292.195
Base-Backbone interact. energy: -0.888
local terms energy: -306.954858
where:
bonds (distance) C4'-P energy: -62.262
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -87.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -975.028540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.028540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.028540 (E_RNA)
where:
Base-Base interactions energy: -679.272
where: short stacking energy: -282.889
Base-Backbone interact. energy: -0.861
local terms energy: -294.896182
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -42.129
tors. eta vs tors. theta energy: -83.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -888.563821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.563821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.563821 (E_RNA)
where:
Base-Base interactions energy: -622.391
where: short stacking energy: -275.753
Base-Backbone interact. energy: 1.819
local terms energy: -267.991839
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -71.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -822.387630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.387630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.387630 (E_RNA)
where:
Base-Base interactions energy: -547.719
where: short stacking energy: -247.782
Base-Backbone interact. energy: -2.163
local terms energy: -272.505046
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -57.012
flat angles C4'-P-C4' energy: -60.849
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -70.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -673.607305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.607305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.607305 (E_RNA)
where:
Base-Base interactions energy: -467.164
where: short stacking energy: -196.237
Base-Backbone interact. energy: -2.078
local terms energy: -204.365405
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -50.906
flat angles C4'-P-C4' energy: -47.881
flat angles P-C4'-P energy: -36.160
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -406.098869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.098869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.098869 (E_RNA)
where:
Base-Base interactions energy: -211.235
where: short stacking energy: -105.352
Base-Backbone interact. energy: -2.118
local terms energy: -192.745887
where:
bonds (distance) C4'-P energy: -49.576
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -51.517
flat angles P-C4'-P energy: -33.285
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -646.102007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.102007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.102007 (E_RNA)
where:
Base-Base interactions energy: -420.452
where: short stacking energy: -181.646
Base-Backbone interact. energy: 1.374
local terms energy: -227.024152
where:
bonds (distance) C4'-P energy: -60.982
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1115.609359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.609359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.609359 (E_RNA)
where:
Base-Base interactions energy: -772.238
where: short stacking energy: -330.597
Base-Backbone interact. energy: -0.832
local terms energy: -342.540100
where:
bonds (distance) C4'-P energy: -65.981
bonds (distance) P-C4' energy: -62.345
flat angles C4'-P-C4' energy: -69.610
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -102.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1097.766501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.766501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.766501 (E_RNA)
where:
Base-Base interactions energy: -779.379
where: short stacking energy: -315.312
Base-Backbone interact. energy: 0.427
local terms energy: -318.814534
where:
bonds (distance) C4'-P energy: -52.386
bonds (distance) P-C4' energy: -60.232
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -92.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1054.701218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.701218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.701218 (E_RNA)
where:
Base-Base interactions energy: -722.099
where: short stacking energy: -314.694
Base-Backbone interact. energy: -0.679
local terms energy: -331.923022
where:
bonds (distance) C4'-P energy: -54.196
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -95.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -982.065787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.065787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.065787 (E_RNA)
where:
Base-Base interactions energy: -670.670
where: short stacking energy: -306.490
Base-Backbone interact. energy: -1.479
local terms energy: -309.916017
where:
bonds (distance) C4'-P energy: -56.171
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -94.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -970.913004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.913004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.913004 (E_RNA)
where:
Base-Base interactions energy: -666.925
where: short stacking energy: -278.230
Base-Backbone interact. energy: -0.372
local terms energy: -303.616205
where:
bonds (distance) C4'-P energy: -55.938
bonds (distance) P-C4' energy: -56.916
flat angles C4'-P-C4' energy: -63.258
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -83.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -972.693638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.693638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.693638 (E_RNA)
where:
Base-Base interactions energy: -660.350
where: short stacking energy: -290.573
Base-Backbone interact. energy: 0.499
local terms energy: -312.843225
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -64.310
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -90.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -820.921637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.921637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.921637 (E_RNA)
where:
Base-Base interactions energy: -559.627
where: short stacking energy: -247.644
Base-Backbone interact. energy: -1.190
local terms energy: -260.104742
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -66.225
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -74.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -680.415499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.415499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.415499 (E_RNA)
where:
Base-Base interactions energy: -460.840
where: short stacking energy: -208.522
Base-Backbone interact. energy: -1.493
local terms energy: -218.082054
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -54.922
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -659.917543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.917543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.917543 (E_RNA)
where:
Base-Base interactions energy: -433.987
where: short stacking energy: -191.343
Base-Backbone interact. energy: -0.803
local terms energy: -225.127526
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -63.420
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -37.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -399.826275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.826275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.826275 (E_RNA)
where:
Base-Base interactions energy: -214.243
where: short stacking energy: -117.353
Base-Backbone interact. energy: 0.002
local terms energy: -185.585516
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1121.992429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.992429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.992429 (E_RNA)
where:
Base-Base interactions energy: -789.100
where: short stacking energy: -336.268
Base-Backbone interact. energy: 0.104
local terms energy: -332.996408
where:
bonds (distance) C4'-P energy: -53.701
bonds (distance) P-C4' energy: -69.893
flat angles C4'-P-C4' energy: -67.500
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -97.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1059.134290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.134290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.134290 (E_RNA)
where:
Base-Base interactions energy: -740.887
where: short stacking energy: -319.475
Base-Backbone interact. energy: -2.137
local terms energy: -316.110797
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -72.209
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -94.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1078.204222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.204222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.204222 (E_RNA)
where:
Base-Base interactions energy: -746.542
where: short stacking energy: -315.577
Base-Backbone interact. energy: -1.996
local terms energy: -329.666431
where:
bonds (distance) C4'-P energy: -58.687
bonds (distance) P-C4' energy: -61.503
flat angles C4'-P-C4' energy: -68.745
flat angles P-C4'-P energy: -48.399
tors. eta vs tors. theta energy: -92.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -985.494890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.494890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.494890 (E_RNA)
where:
Base-Base interactions energy: -686.870
where: short stacking energy: -290.118
Base-Backbone interact. energy: -1.879
local terms energy: -296.746142
where:
bonds (distance) C4'-P energy: -44.697
bonds (distance) P-C4' energy: -62.904
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -88.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -980.133111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.133111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.133111 (E_RNA)
where:
Base-Base interactions energy: -689.516
where: short stacking energy: -288.747
Base-Backbone interact. energy: 0.736
local terms energy: -291.353608
where:
bonds (distance) C4'-P energy: -58.502
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -60.561
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -79.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -942.236337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.236337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.236337 (E_RNA)
where:
Base-Base interactions energy: -636.986
where: short stacking energy: -284.750
Base-Backbone interact. energy: -0.646
local terms energy: -304.604636
where:
bonds (distance) C4'-P energy: -48.487
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -66.218
flat angles P-C4'-P energy: -51.846
tors. eta vs tors. theta energy: -83.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -839.424144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.424144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.424144 (E_RNA)
where:
Base-Base interactions energy: -561.302
where: short stacking energy: -249.785
Base-Backbone interact. energy: -1.782
local terms energy: -276.340050
where:
bonds (distance) C4'-P energy: -61.455
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -55.616
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -70.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -682.548493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.548493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.548493 (E_RNA)
where:
Base-Base interactions energy: -443.237
where: short stacking energy: -211.294
Base-Backbone interact. energy: -0.222
local terms energy: -239.089179
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -52.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -738.468697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.468697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.468697 (E_RNA)
where:
Base-Base interactions energy: -523.335
where: short stacking energy: -222.333
Base-Backbone interact. energy: -1.046
local terms energy: -214.087909
where:
bonds (distance) C4'-P energy: -47.329
bonds (distance) P-C4' energy: -50.548
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -26.461
tors. eta vs tors. theta energy: -54.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -395.541270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.541270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.541270 (E_RNA)
where:
Base-Base interactions energy: -227.338
where: short stacking energy: -127.142
Base-Backbone interact. energy: 0.042
local terms energy: -168.245040
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -38.427
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1112.019510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.019510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.019510 (E_RNA)
where:
Base-Base interactions energy: -795.612
where: short stacking energy: -347.693
Base-Backbone interact. energy: -0.937
local terms energy: -315.470933
where:
bonds (distance) C4'-P energy: -53.676
bonds (distance) P-C4' energy: -60.017
flat angles C4'-P-C4' energy: -64.635
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -98.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1073.567947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.567947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.567947 (E_RNA)
where:
Base-Base interactions energy: -746.430
where: short stacking energy: -313.500
Base-Backbone interact. energy: 0.169
local terms energy: -327.306742
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -59.198
flat angles C4'-P-C4' energy: -64.695
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -93.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1050.402965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.402965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.402965 (E_RNA)
where:
Base-Base interactions energy: -732.643
where: short stacking energy: -318.722
Base-Backbone interact. energy: -0.118
local terms energy: -317.641141
where:
bonds (distance) C4'-P energy: -58.342
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -46.703
tors. eta vs tors. theta energy: -92.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -978.725568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.725568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.725568 (E_RNA)
where:
Base-Base interactions energy: -686.330
where: short stacking energy: -298.173
Base-Backbone interact. energy: -0.819
local terms energy: -291.576235
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -62.099
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -80.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -973.896894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.896894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.896894 (E_RNA)
where:
Base-Base interactions energy: -678.466
where: short stacking energy: -290.519
Base-Backbone interact. energy: 2.336
local terms energy: -297.766873
where:
bonds (distance) C4'-P energy: -54.112
bonds (distance) P-C4' energy: -50.536
flat angles C4'-P-C4' energy: -63.563
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -87.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -929.527075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.527075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.527075 (E_RNA)
where:
Base-Base interactions energy: -652.609
where: short stacking energy: -272.041
Base-Backbone interact. energy: -1.676
local terms energy: -275.241590
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -59.092
flat angles P-C4'-P energy: -41.288
tors. eta vs tors. theta energy: -67.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -847.700731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.700731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.700731 (E_RNA)
where:
Base-Base interactions energy: -565.945
where: short stacking energy: -255.720
Base-Backbone interact. energy: -0.064
local terms energy: -281.691580
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -74.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -651.909062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.909062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.909062 (E_RNA)
where:
Base-Base interactions energy: -444.019
where: short stacking energy: -187.892
Base-Backbone interact. energy: 5.514
local terms energy: -213.403901
where:
bonds (distance) C4'-P energy: -44.505
bonds (distance) P-C4' energy: -43.945
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -40.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -772.733629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.733629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.733629 (E_RNA)
where:
Base-Base interactions energy: -519.223
where: short stacking energy: -234.661
Base-Backbone interact. energy: 0.044
local terms energy: -253.554793
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -61.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -437.258564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.258564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.258564 (E_RNA)
where:
Base-Base interactions energy: -245.400
where: short stacking energy: -141.929
Base-Backbone interact. energy: -0.370
local terms energy: -191.488159
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -51.493
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1117.029160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.029160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.029160 (E_RNA)
where:
Base-Base interactions energy: -774.830
where: short stacking energy: -339.216
Base-Backbone interact. energy: -0.934
local terms energy: -341.265218
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -60.372
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -51.715
tors. eta vs tors. theta energy: -94.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1086.989943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.989943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.989943 (E_RNA)
where:
Base-Base interactions energy: -767.035
where: short stacking energy: -319.502
Base-Backbone interact. energy: 4.643
local terms energy: -324.598860
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -57.707
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -90.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1060.964017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.964017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.964017 (E_RNA)
where:
Base-Base interactions energy: -749.314
where: short stacking energy: -333.649
Base-Backbone interact. energy: -1.383
local terms energy: -310.266953
where:
bonds (distance) C4'-P energy: -52.013
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -65.478
flat angles P-C4'-P energy: -48.575
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1005.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.445330 (E_RNA)
where:
Base-Base interactions energy: -684.783
where: short stacking energy: -291.420
Base-Backbone interact. energy: 0.766
local terms energy: -321.427533
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -60.058
flat angles C4'-P-C4' energy: -73.186
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -90.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -955.488222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.488222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.488222 (E_RNA)
where:
Base-Base interactions energy: -649.423
where: short stacking energy: -291.737
Base-Backbone interact. energy: 0.207
local terms energy: -306.271832
where:
bonds (distance) C4'-P energy: -46.077
bonds (distance) P-C4' energy: -60.385
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -84.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -947.355531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.355531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.355531 (E_RNA)
where:
Base-Base interactions energy: -656.140
where: short stacking energy: -270.373
Base-Backbone interact. energy: 0.872
local terms energy: -292.087983
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -76.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -862.272189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.272189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.272189 (E_RNA)
where:
Base-Base interactions energy: -608.616
where: short stacking energy: -262.079
Base-Backbone interact. energy: -0.369
local terms energy: -253.287317
where:
bonds (distance) C4'-P energy: -41.166
bonds (distance) P-C4' energy: -56.786
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -66.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -779.900533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.900533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.900533 (E_RNA)
where:
Base-Base interactions energy: -530.518
where: short stacking energy: -206.419
Base-Backbone interact. energy: 0.021
local terms energy: -249.403512
where:
bonds (distance) C4'-P energy: -45.119
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -53.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -616.713214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.713214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.713214 (E_RNA)
where:
Base-Base interactions energy: -395.122
where: short stacking energy: -182.162
Base-Backbone interact. energy: 1.725
local terms energy: -223.316113
where:
bonds (distance) C4'-P energy: -56.395
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -50.355
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -39.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -422.840373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.840373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.840373 (E_RNA)
where:
Base-Base interactions energy: -238.793
where: short stacking energy: -122.325
Base-Backbone interact. energy: -0.631
local terms energy: -183.415930
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -53.677
flat angles P-C4'-P energy: -22.285
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1102.673051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.673051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.673051 (E_RNA)
where:
Base-Base interactions energy: -774.687
where: short stacking energy: -309.691
Base-Backbone interact. energy: -1.028
local terms energy: -326.958690
where:
bonds (distance) C4'-P energy: -61.028
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -87.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1091.869376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.869376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.869376 (E_RNA)
where:
Base-Base interactions energy: -757.643
where: short stacking energy: -328.476
Base-Backbone interact. energy: 0.206
local terms energy: -334.432311
where:
bonds (distance) C4'-P energy: -59.457
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -65.352
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -93.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1054.404204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.404204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.404204 (E_RNA)
where:
Base-Base interactions energy: -718.874
where: short stacking energy: -326.753
Base-Backbone interact. energy: 1.580
local terms energy: -337.110091
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -68.834
flat angles P-C4'-P energy: -43.831
tors. eta vs tors. theta energy: -100.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1022.360786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.360786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.360786 (E_RNA)
where:
Base-Base interactions energy: -693.912
where: short stacking energy: -291.062
Base-Backbone interact. energy: -1.149
local terms energy: -327.299146
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -87.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -979.124455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.124455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.124455 (E_RNA)
where:
Base-Base interactions energy: -690.937
where: short stacking energy: -285.956
Base-Backbone interact. energy: -0.403
local terms energy: -287.784998
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -86.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -953.437691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.437691 (E_RNA)
where:
Base-Base interactions energy: -661.713
where: short stacking energy: -283.334
Base-Backbone interact. energy: -1.315
local terms energy: -290.409282
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -60.381
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -78.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -879.175764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.175764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.175764 (E_RNA)
where:
Base-Base interactions energy: -607.681
where: short stacking energy: -260.363
Base-Backbone interact. energy: -1.488
local terms energy: -270.007290
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -58.468
flat angles P-C4'-P energy: -42.676
tors. eta vs tors. theta energy: -68.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -756.436229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.436229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.436229 (E_RNA)
where:
Base-Base interactions energy: -518.550
where: short stacking energy: -223.074
Base-Backbone interact. energy: 3.375
local terms energy: -241.261648
where:
bonds (distance) C4'-P energy: -39.488
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -56.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -654.088497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.088497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.088497 (E_RNA)
where:
Base-Base interactions energy: -428.984
where: short stacking energy: -174.989
Base-Backbone interact. energy: 1.366
local terms energy: -226.470443
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -51.756
flat angles C4'-P-C4' energy: -52.885
flat angles P-C4'-P energy: -34.042
tors. eta vs tors. theta energy: -50.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -435.629034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.629034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.629034 (E_RNA)
where:
Base-Base interactions energy: -244.062
where: short stacking energy: -139.815
Base-Backbone interact. energy: 1.936
local terms energy: -193.503370
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -37.178
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1090.183646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.183646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.183646 (E_RNA)
where:
Base-Base interactions energy: -779.052
where: short stacking energy: -318.707
Base-Backbone interact. energy: 0.199
local terms energy: -311.330711
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -86.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1085.404707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.404707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.404707 (E_RNA)
where:
Base-Base interactions energy: -741.137
where: short stacking energy: -329.023
Base-Backbone interact. energy: -0.649
local terms energy: -343.618106
where:
bonds (distance) C4'-P energy: -62.497
bonds (distance) P-C4' energy: -56.397
flat angles C4'-P-C4' energy: -75.395
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -94.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1077.200549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.200549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.200549 (E_RNA)
where:
Base-Base interactions energy: -754.112
where: short stacking energy: -321.755
Base-Backbone interact. energy: 1.461
local terms energy: -324.549474
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -68.495
flat angles P-C4'-P energy: -41.621
tors. eta vs tors. theta energy: -94.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -974.679685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.679685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.679685 (E_RNA)
where:
Base-Base interactions energy: -662.988
where: short stacking energy: -293.685
Base-Backbone interact. energy: -1.497
local terms energy: -310.195321
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -66.304
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -84.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -980.868763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.868763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.868763 (E_RNA)
where:
Base-Base interactions energy: -687.482
where: short stacking energy: -300.354
Base-Backbone interact. energy: 0.586
local terms energy: -293.972195
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -49.818
flat angles C4'-P-C4' energy: -73.020
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -82.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -960.365318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.365318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.365318 (E_RNA)
where:
Base-Base interactions energy: -678.467
where: short stacking energy: -289.878
Base-Backbone interact. energy: -0.665
local terms energy: -281.233215
where:
bonds (distance) C4'-P energy: -52.111
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -30.503
tors. eta vs tors. theta energy: -83.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -884.100849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.100849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.100849 (E_RNA)
where:
Base-Base interactions energy: -626.047
where: short stacking energy: -263.719
Base-Backbone interact. energy: -1.467
local terms energy: -256.587527
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -49.917
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -66.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -776.787186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.787186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.787186 (E_RNA)
where:
Base-Base interactions energy: -539.753
where: short stacking energy: -243.412
Base-Backbone interact. energy: -0.585
local terms energy: -236.449628
where:
bonds (distance) C4'-P energy: -41.637
bonds (distance) P-C4' energy: -44.864
flat angles C4'-P-C4' energy: -62.137
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -54.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -665.433971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.433971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.433971 (E_RNA)
where:
Base-Base interactions energy: -436.502
where: short stacking energy: -202.103
Base-Backbone interact. energy: 4.968
local terms energy: -233.900256
where:
bonds (distance) C4'-P energy: -54.078
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -52.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -424.429935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.429935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.429935 (E_RNA)
where:
Base-Base interactions energy: -239.608
where: short stacking energy: -121.155
Base-Backbone interact. energy: -0.058
local terms energy: -184.764491
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -59.109
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1102.628058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.628058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.628058 (E_RNA)
where:
Base-Base interactions energy: -778.019
where: short stacking energy: -314.862
Base-Backbone interact. energy: 1.086
local terms energy: -325.694372
where:
bonds (distance) C4'-P energy: -62.741
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -89.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1096.067332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.067332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.067332 (E_RNA)
where:
Base-Base interactions energy: -746.436
where: short stacking energy: -324.841
Base-Backbone interact. energy: 2.443
local terms energy: -352.074589
where:
bonds (distance) C4'-P energy: -59.964
bonds (distance) P-C4' energy: -73.551
flat angles C4'-P-C4' energy: -70.672
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -99.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1091.367488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.367488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.367488 (E_RNA)
where:
Base-Base interactions energy: -762.559
where: short stacking energy: -336.629
Base-Backbone interact. energy: -0.801
local terms energy: -328.006647
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -55.139
flat angles C4'-P-C4' energy: -61.881
flat angles P-C4'-P energy: -50.587
tors. eta vs tors. theta energy: -98.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1000.607554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.607554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.607554 (E_RNA)
where:
Base-Base interactions energy: -694.088
where: short stacking energy: -294.810
Base-Backbone interact. energy: -0.918
local terms energy: -305.601382
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -70.877
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -82.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -999.899382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.899382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.899382 (E_RNA)
where:
Base-Base interactions energy: -709.428
where: short stacking energy: -308.339
Base-Backbone interact. energy: 1.304
local terms energy: -291.775529
where:
bonds (distance) C4'-P energy: -42.702
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -60.384
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -91.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -948.533856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.533856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.533856 (E_RNA)
where:
Base-Base interactions energy: -659.253
where: short stacking energy: -285.796
Base-Backbone interact. energy: -0.540
local terms energy: -288.740475
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -63.866
flat angles P-C4'-P energy: -45.494
tors. eta vs tors. theta energy: -72.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -859.893783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.893783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.893783 (E_RNA)
where:
Base-Base interactions energy: -600.412
where: short stacking energy: -260.417
Base-Backbone interact. energy: -0.352
local terms energy: -259.129577
where:
bonds (distance) C4'-P energy: -41.261
bonds (distance) P-C4' energy: -51.330
flat angles C4'-P-C4' energy: -62.353
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -75.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -785.329851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.329851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.329851 (E_RNA)
where:
Base-Base interactions energy: -537.943
where: short stacking energy: -222.656
Base-Backbone interact. energy: -0.810
local terms energy: -246.576236
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -60.191
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -56.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -684.681441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.681441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.681441 (E_RNA)
where:
Base-Base interactions energy: -423.080
where: short stacking energy: -209.148
Base-Backbone interact. energy: -1.715
local terms energy: -259.886424
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -44.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -402.795430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.795430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.795430 (E_RNA)
where:
Base-Base interactions energy: -219.855
where: short stacking energy: -116.360
Base-Backbone interact. energy: -1.954
local terms energy: -180.986927
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1118.610272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.610272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.610272 (E_RNA)
where:
Base-Base interactions energy: -807.956
where: short stacking energy: -323.866
Base-Backbone interact. energy: -1.379
local terms energy: -309.274550
where:
bonds (distance) C4'-P energy: -56.613
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -83.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1089.809039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.809039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.809039 (E_RNA)
where:
Base-Base interactions energy: -760.324
where: short stacking energy: -310.339
Base-Backbone interact. energy: -0.714
local terms energy: -328.771126
where:
bonds (distance) C4'-P energy: -60.539
bonds (distance) P-C4' energy: -58.954
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -95.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1058.422754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.422754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.422754 (E_RNA)
where:
Base-Base interactions energy: -742.691
where: short stacking energy: -336.554
Base-Backbone interact. energy: -1.959
local terms energy: -313.773213
where:
bonds (distance) C4'-P energy: -64.683
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -55.926
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -96.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1007.578929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.578929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.578929 (E_RNA)
where:
Base-Base interactions energy: -702.249
where: short stacking energy: -296.696
Base-Backbone interact. energy: -1.161
local terms energy: -304.168922
where:
bonds (distance) C4'-P energy: -50.010
bonds (distance) P-C4' energy: -57.112
flat angles C4'-P-C4' energy: -68.131
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -91.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1003.579867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.579867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.579867 (E_RNA)
where:
Base-Base interactions energy: -692.990
where: short stacking energy: -289.128
Base-Backbone interact. energy: 0.156
local terms energy: -310.745324
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -59.508
flat angles C4'-P-C4' energy: -70.201
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -84.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -899.079566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.079566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.079566 (E_RNA)
where:
Base-Base interactions energy: -624.391
where: short stacking energy: -266.812
Base-Backbone interact. energy: 0.177
local terms energy: -274.865024
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -52.158
flat angles C4'-P-C4' energy: -64.417
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -77.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -948.223704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.223704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.223704 (E_RNA)
where:
Base-Base interactions energy: -683.940
where: short stacking energy: -283.633
Base-Backbone interact. energy: -0.333
local terms energy: -263.951034
where:
bonds (distance) C4'-P energy: -39.662
bonds (distance) P-C4' energy: -60.470
flat angles C4'-P-C4' energy: -55.176
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -82.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -777.073802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.073802 (E_RNA)
where:
Base-Base interactions energy: -527.257
where: short stacking energy: -215.919
Base-Backbone interact. energy: -2.128
local terms energy: -247.689405
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -53.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -693.157481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.157481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.157481 (E_RNA)
where:
Base-Base interactions energy: -452.584
where: short stacking energy: -211.948
Base-Backbone interact. energy: -0.105
local terms energy: -240.468405
where:
bonds (distance) C4'-P energy: -45.984
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -49.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -440.172678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.172678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.172678 (E_RNA)
where:
Base-Base interactions energy: -230.203
where: short stacking energy: -128.770
Base-Backbone interact. energy: -0.373
local terms energy: -209.596323
where:
bonds (distance) C4'-P energy: -52.580
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -25.292
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1093.340538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.340538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.340538 (E_RNA)
where:
Base-Base interactions energy: -779.429
where: short stacking energy: -324.490
Base-Backbone interact. energy: -0.794
local terms energy: -313.117419
where:
bonds (distance) C4'-P energy: -59.714
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -68.453
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -85.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1087.746344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.746344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.746344 (E_RNA)
where:
Base-Base interactions energy: -765.289
where: short stacking energy: -330.090
Base-Backbone interact. energy: -0.657
local terms energy: -321.800104
where:
bonds (distance) C4'-P energy: -62.404
bonds (distance) P-C4' energy: -52.716
flat angles C4'-P-C4' energy: -67.106
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -91.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1079.397858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.397858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.397858 (E_RNA)
where:
Base-Base interactions energy: -755.404
where: short stacking energy: -307.930
Base-Backbone interact. energy: 1.489
local terms energy: -325.482784
where:
bonds (distance) C4'-P energy: -56.730
bonds (distance) P-C4' energy: -62.883
flat angles C4'-P-C4' energy: -71.424
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -89.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -986.110823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.110823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.110823 (E_RNA)
where:
Base-Base interactions energy: -695.413
where: short stacking energy: -287.332
Base-Backbone interact. energy: -2.368
local terms energy: -288.330219
where:
bonds (distance) C4'-P energy: -52.103
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -82.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -992.348792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.348792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.348792 (E_RNA)
where:
Base-Base interactions energy: -713.796
where: short stacking energy: -289.142
Base-Backbone interact. energy: -0.324
local terms energy: -278.228722
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -57.969
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -76.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -846.363058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.363058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.363058 (E_RNA)
where:
Base-Base interactions energy: -567.438
where: short stacking energy: -255.450
Base-Backbone interact. energy: -0.397
local terms energy: -278.528277
where:
bonds (distance) C4'-P energy: -54.228
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -70.080
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -60.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -948.278401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.278401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.278401 (E_RNA)
where:
Base-Base interactions energy: -658.719
where: short stacking energy: -265.017
Base-Backbone interact. energy: -0.585
local terms energy: -288.974550
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -81.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -718.652437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.652437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.652437 (E_RNA)
where:
Base-Base interactions energy: -481.009
where: short stacking energy: -219.929
Base-Backbone interact. energy: -1.685
local terms energy: -235.959319
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -697.331943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.331943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.331943 (E_RNA)
where:
Base-Base interactions energy: -459.894
where: short stacking energy: -235.504
Base-Backbone interact. energy: -0.833
local terms energy: -236.604926
where:
bonds (distance) C4'-P energy: -52.257
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -48.557
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -57.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -419.376404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.376404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.376404 (E_RNA)
where:
Base-Base interactions energy: -217.479
where: short stacking energy: -108.650
Base-Backbone interact. energy: 1.604
local terms energy: -203.501494
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -60.261
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -32.138
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1103.613630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.613630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.613630 (E_RNA)
where:
Base-Base interactions energy: -788.459
where: short stacking energy: -327.573
Base-Backbone interact. energy: -0.155
local terms energy: -315.000363
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -60.141
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -46.612
tors. eta vs tors. theta energy: -88.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1093.284742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.284742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.284742 (E_RNA)
where:
Base-Base interactions energy: -780.744
where: short stacking energy: -338.176
Base-Backbone interact. energy: -1.755
local terms energy: -310.786065
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -48.536
flat angles C4'-P-C4' energy: -73.310
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -96.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1062.039260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.039260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.039260 (E_RNA)
where:
Base-Base interactions energy: -738.668
where: short stacking energy: -318.490
Base-Backbone interact. energy: 0.227
local terms energy: -323.598229
where:
bonds (distance) C4'-P energy: -56.636
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -66.401
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -89.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1001.179922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.179922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.179922 (E_RNA)
where:
Base-Base interactions energy: -697.024
where: short stacking energy: -296.455
Base-Backbone interact. energy: -0.103
local terms energy: -304.053366
where:
bonds (distance) C4'-P energy: -58.344
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -89.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -971.661866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.661866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.661866 (E_RNA)
where:
Base-Base interactions energy: -665.902
where: short stacking energy: -279.510
Base-Backbone interact. energy: -0.465
local terms energy: -305.294996
where:
bonds (distance) C4'-P energy: -48.973
bonds (distance) P-C4' energy: -55.325
flat angles C4'-P-C4' energy: -71.063
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -82.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -965.974133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.974133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.974133 (E_RNA)
where:
Base-Base interactions energy: -683.488
where: short stacking energy: -288.929
Base-Backbone interact. energy: -1.167
local terms energy: -281.319053
where:
bonds (distance) C4'-P energy: -55.795
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -77.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -863.704974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.704974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.704974 (E_RNA)
where:
Base-Base interactions energy: -590.281
where: short stacking energy: -251.536
Base-Backbone interact. energy: -2.445
local terms energy: -270.978576
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -52.480
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -69.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -712.037116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.037116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.037116 (E_RNA)
where:
Base-Base interactions energy: -463.990
where: short stacking energy: -206.658
Base-Backbone interact. energy: -1.286
local terms energy: -246.760965
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -51.948
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -712.793988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.793988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.793988 (E_RNA)
where:
Base-Base interactions energy: -475.834
where: short stacking energy: -221.843
Base-Backbone interact. energy: -1.282
local terms energy: -235.677398
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -53.500
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -53.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -431.457267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.457267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.457267 (E_RNA)
where:
Base-Base interactions energy: -238.793
where: short stacking energy: -126.418
Base-Backbone interact. energy: -1.732
local terms energy: -190.932315
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1112.256363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.256363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.256363 (E_RNA)
where:
Base-Base interactions energy: -781.407
where: short stacking energy: -324.714
Base-Backbone interact. energy: -1.192
local terms energy: -329.657680
where:
bonds (distance) C4'-P energy: -55.826
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -66.827
flat angles P-C4'-P energy: -49.782
tors. eta vs tors. theta energy: -91.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1075.566642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.566642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.566642 (E_RNA)
where:
Base-Base interactions energy: -753.335
where: short stacking energy: -316.968
Base-Backbone interact. energy: -2.428
local terms energy: -319.802944
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -60.886
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -88.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1055.410675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.410675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.410675 (E_RNA)
where:
Base-Base interactions energy: -746.674
where: short stacking energy: -323.747
Base-Backbone interact. energy: -0.889
local terms energy: -307.848117
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -92.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1009.208755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.208755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.208755 (E_RNA)
where:
Base-Base interactions energy: -704.929
where: short stacking energy: -301.287
Base-Backbone interact. energy: 1.502
local terms energy: -305.781844
where:
bonds (distance) C4'-P energy: -59.094
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -88.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -982.509637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.509637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.509637 (E_RNA)
where:
Base-Base interactions energy: -678.612
where: short stacking energy: -300.901
Base-Backbone interact. energy: -3.160
local terms energy: -300.737812
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -66.136
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -81.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -951.250539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.250539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.250539 (E_RNA)
where:
Base-Base interactions energy: -661.343
where: short stacking energy: -268.269
Base-Backbone interact. energy: -1.237
local terms energy: -288.671006
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -68.515
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -74.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -850.756507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.756507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.756507 (E_RNA)
where:
Base-Base interactions energy: -584.749
where: short stacking energy: -243.518
Base-Backbone interact. energy: -0.950
local terms energy: -265.056925
where:
bonds (distance) C4'-P energy: -57.682
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -67.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -744.297828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.297828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.297828 (E_RNA)
where:
Base-Base interactions energy: -480.877
where: short stacking energy: -209.207
Base-Backbone interact. energy: -1.591
local terms energy: -261.829588
where:
bonds (distance) C4'-P energy: -46.836
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -43.868
tors. eta vs tors. theta energy: -60.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -702.730533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.730533 (E_RNA)
where:
Base-Base interactions energy: -472.400
where: short stacking energy: -219.795
Base-Backbone interact. energy: -0.697
local terms energy: -229.633450
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -63.725
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -46.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -400.165084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.165084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.165084 (E_RNA)
where:
Base-Base interactions energy: -224.229
where: short stacking energy: -122.537
Base-Backbone interact. energy: 3.247
local terms energy: -179.182975
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -41.433
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1119.607483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.607483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.607483 (E_RNA)
where:
Base-Base interactions energy: -793.438
where: short stacking energy: -329.035
Base-Backbone interact. energy: 0.940
local terms energy: -327.109155
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -65.526
flat angles C4'-P-C4' energy: -66.866
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -93.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1099.666552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.666552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.666552 (E_RNA)
where:
Base-Base interactions energy: -761.326
where: short stacking energy: -340.405
Base-Backbone interact. energy: -1.245
local terms energy: -337.095378
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -65.893
flat angles C4'-P-C4' energy: -67.231
flat angles P-C4'-P energy: -49.009
tors. eta vs tors. theta energy: -91.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1067.507222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.507222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.507222 (E_RNA)
where:
Base-Base interactions energy: -751.744
where: short stacking energy: -308.364
Base-Backbone interact. energy: 3.023
local terms energy: -318.786502
where:
bonds (distance) C4'-P energy: -64.258
bonds (distance) P-C4' energy: -64.288
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -88.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1004.690804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.690804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.690804 (E_RNA)
where:
Base-Base interactions energy: -702.731
where: short stacking energy: -301.972
Base-Backbone interact. energy: -0.654
local terms energy: -301.305396
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -57.467
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: -78.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -996.136524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.136524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.136524 (E_RNA)
where:
Base-Base interactions energy: -690.917
where: short stacking energy: -287.019
Base-Backbone interact. energy: -1.451
local terms energy: -303.769068
where:
bonds (distance) C4'-P energy: -49.817
bonds (distance) P-C4' energy: -56.340
flat angles C4'-P-C4' energy: -65.394
flat angles P-C4'-P energy: -48.615
tors. eta vs tors. theta energy: -83.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -959.637837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.637837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.637837 (E_RNA)
where:
Base-Base interactions energy: -650.766
where: short stacking energy: -292.936
Base-Backbone interact. energy: -0.883
local terms energy: -307.989283
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -61.760
flat angles C4'-P-C4' energy: -64.472
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -84.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -843.574860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.574860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.574860 (E_RNA)
where:
Base-Base interactions energy: -561.653
where: short stacking energy: -242.377
Base-Backbone interact. energy: 0.408
local terms energy: -282.330672
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -71.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -730.935187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.935187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.935187 (E_RNA)
where:
Base-Base interactions energy: -492.608
where: short stacking energy: -217.871
Base-Backbone interact. energy: -0.503
local terms energy: -237.823258
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -49.932
flat angles C4'-P-C4' energy: -45.577
flat angles P-C4'-P energy: -35.916
tors. eta vs tors. theta energy: -61.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -652.011461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.011461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.011461 (E_RNA)
where:
Base-Base interactions energy: -421.160
where: short stacking energy: -192.875
Base-Backbone interact. energy: -0.514
local terms energy: -230.336964
where:
bonds (distance) C4'-P energy: -47.809
bonds (distance) P-C4' energy: -52.644
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: -45.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -420.851521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.851521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.851521 (E_RNA)
where:
Base-Base interactions energy: -243.029
where: short stacking energy: -125.345
Base-Backbone interact. energy: 5.377
local terms energy: -183.199454
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -49.355
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1131.190592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.190592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.190592 (E_RNA)
where:
Base-Base interactions energy: -796.942
where: short stacking energy: -335.178
Base-Backbone interact. energy: 0.180
local terms energy: -334.428396
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -69.041
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: -92.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1095.676414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.676414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.676414 (E_RNA)
where:
Base-Base interactions energy: -761.353
where: short stacking energy: -326.400
Base-Backbone interact. energy: -2.313
local terms energy: -332.010693
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -70.527
flat angles P-C4'-P energy: -51.147
tors. eta vs tors. theta energy: -98.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1056.598900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.598900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.598900 (E_RNA)
where:
Base-Base interactions energy: -738.758
where: short stacking energy: -308.079
Base-Backbone interact. energy: -1.723
local terms energy: -316.117574
where:
bonds (distance) C4'-P energy: -55.115
bonds (distance) P-C4' energy: -56.704
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -984.405982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.405982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.405982 (E_RNA)
where:
Base-Base interactions energy: -688.452
where: short stacking energy: -289.792
Base-Backbone interact. energy: -1.119
local terms energy: -294.835006
where:
bonds (distance) C4'-P energy: -43.608
bonds (distance) P-C4' energy: -66.212
flat angles C4'-P-C4' energy: -63.218
flat angles P-C4'-P energy: -43.950
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1006.748817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.748817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.748817 (E_RNA)
where:
Base-Base interactions energy: -709.802
where: short stacking energy: -302.166
Base-Backbone interact. energy: -1.671
local terms energy: -295.275846
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -56.778
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -83.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -929.955810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.955810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.955810 (E_RNA)
where:
Base-Base interactions energy: -639.919
where: short stacking energy: -272.199
Base-Backbone interact. energy: 3.188
local terms energy: -293.224840
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -64.228
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -80.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -849.119084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.119084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.119084 (E_RNA)
where:
Base-Base interactions energy: -569.599
where: short stacking energy: -236.867
Base-Backbone interact. energy: -0.664
local terms energy: -278.855926
where:
bonds (distance) C4'-P energy: -55.254
bonds (distance) P-C4' energy: -64.798
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -70.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -661.295383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.295383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.295383 (E_RNA)
where:
Base-Base interactions energy: -447.433
where: short stacking energy: -178.374
Base-Backbone interact. energy: -1.407
local terms energy: -212.455253
where:
bonds (distance) C4'-P energy: -42.477
bonds (distance) P-C4' energy: -49.967
flat angles C4'-P-C4' energy: -44.965
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -691.826400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.826400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.826400 (E_RNA)
where:
Base-Base interactions energy: -466.584
where: short stacking energy: -211.476
Base-Backbone interact. energy: 0.526
local terms energy: -225.768538
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -42.018
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -45.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -420.785287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.785287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.785287 (E_RNA)
where:
Base-Base interactions energy: -239.184
where: short stacking energy: -111.253
Base-Backbone interact. energy: -0.505
local terms energy: -181.096207
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -42.667
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1117.313442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.313442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.313442 (E_RNA)
where:
Base-Base interactions energy: -793.442
where: short stacking energy: -334.686
Base-Backbone interact. energy: 1.452
local terms energy: -325.323553
where:
bonds (distance) C4'-P energy: -57.826
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -74.258
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -93.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1081.153999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.153999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.153999 (E_RNA)
where:
Base-Base interactions energy: -756.978
where: short stacking energy: -304.924
Base-Backbone interact. energy: -1.914
local terms energy: -322.261697
where:
bonds (distance) C4'-P energy: -52.566
bonds (distance) P-C4' energy: -62.706
flat angles C4'-P-C4' energy: -68.775
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: -88.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1074.523855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.523855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.523855 (E_RNA)
where:
Base-Base interactions energy: -766.830
where: short stacking energy: -333.253
Base-Backbone interact. energy: -1.233
local terms energy: -306.461580
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -55.148
flat angles C4'-P-C4' energy: -70.348
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -94.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -997.349482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.349482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.349482 (E_RNA)
where:
Base-Base interactions energy: -694.672
where: short stacking energy: -287.433
Base-Backbone interact. energy: -0.410
local terms energy: -302.267576
where:
bonds (distance) C4'-P energy: -52.428
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -86.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -984.347947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.347947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.347947 (E_RNA)
where:
Base-Base interactions energy: -679.416
where: short stacking energy: -295.485
Base-Backbone interact. energy: 0.193
local terms energy: -305.125207
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -70.023
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -83.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -902.689639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.689639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.689639 (E_RNA)
where:
Base-Base interactions energy: -619.735
where: short stacking energy: -264.537
Base-Backbone interact. energy: -1.197
local terms energy: -281.758120
where:
bonds (distance) C4'-P energy: -54.400
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -63.883
flat angles P-C4'-P energy: -41.557
tors. eta vs tors. theta energy: -69.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -890.380876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.380876 (E_RNA)
where:
Base-Base interactions energy: -592.095
where: short stacking energy: -259.644
Base-Backbone interact. energy: -0.366
local terms energy: -297.919380
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -62.239
flat angles C4'-P-C4' energy: -56.588
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -669.030434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.030434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.030434 (E_RNA)
where:
Base-Base interactions energy: -451.341
where: short stacking energy: -194.177
Base-Backbone interact. energy: -1.117
local terms energy: -216.571882
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -39.093
tors. eta vs tors. theta energy: -46.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -607.603839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.603839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.603839 (E_RNA)
where:
Base-Base interactions energy: -397.339
where: short stacking energy: -167.032
Base-Backbone interact. energy: 1.075
local terms energy: -211.340040
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -58.062
flat angles C4'-P-C4' energy: -54.674
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -30.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -414.523158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.523158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.523158 (E_RNA)
where:
Base-Base interactions energy: -238.199
where: short stacking energy: -110.367
Base-Backbone interact. energy: -1.339
local terms energy: -174.985310
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -64.032
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: 2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1128.693607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.693607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.693607 (E_RNA)
where:
Base-Base interactions energy: -790.407
where: short stacking energy: -323.396
Base-Backbone interact. energy: -1.161
local terms energy: -337.124991
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -65.537
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -50.458
tors. eta vs tors. theta energy: -95.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1091.524887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.524887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.524887 (E_RNA)
where:
Base-Base interactions energy: -766.069
where: short stacking energy: -316.620
Base-Backbone interact. energy: -0.950
local terms energy: -324.505644
where:
bonds (distance) C4'-P energy: -54.656
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -71.008
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -96.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1023.406715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.406715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.406715 (E_RNA)
where:
Base-Base interactions energy: -707.841
where: short stacking energy: -316.875
Base-Backbone interact. energy: -0.447
local terms energy: -315.119162
where:
bonds (distance) C4'-P energy: -63.828
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -66.413
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -79.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1056.114167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.114167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.114167 (E_RNA)
where:
Base-Base interactions energy: -735.127
where: short stacking energy: -312.960
Base-Backbone interact. energy: -1.219
local terms energy: -319.768175
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -72.820
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -87.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -995.680575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.680575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.680575 (E_RNA)
where:
Base-Base interactions energy: -704.088
where: short stacking energy: -306.104
Base-Backbone interact. energy: -0.084
local terms energy: -291.508005
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -64.883
flat angles P-C4'-P energy: -39.070
tors. eta vs tors. theta energy: -92.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -927.672311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.672311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.672311 (E_RNA)
where:
Base-Base interactions energy: -657.753
where: short stacking energy: -271.441
Base-Backbone interact. energy: -0.720
local terms energy: -269.199010
where:
bonds (distance) C4'-P energy: -42.657
bonds (distance) P-C4' energy: -63.072
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -74.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -859.122980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.122980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.122980 (E_RNA)
where:
Base-Base interactions energy: -583.182
where: short stacking energy: -257.568
Base-Backbone interact. energy: -1.125
local terms energy: -274.815487
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -45.996
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -75.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -657.663405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.663405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.663405 (E_RNA)
where:
Base-Base interactions energy: -417.774
where: short stacking energy: -197.513
Base-Backbone interact. energy: -2.228
local terms energy: -237.661259
where:
bonds (distance) C4'-P energy: -57.366
bonds (distance) P-C4' energy: -48.489
flat angles C4'-P-C4' energy: -57.759
flat angles P-C4'-P energy: -31.370
tors. eta vs tors. theta energy: -42.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -637.498617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.498617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.498617 (E_RNA)
where:
Base-Base interactions energy: -438.827
where: short stacking energy: -202.589
Base-Backbone interact. energy: -0.548
local terms energy: -198.122951
where:
bonds (distance) C4'-P energy: -45.086
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -44.819
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -378.719575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.719575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.719575 (E_RNA)
where:
Base-Base interactions energy: -209.182
where: short stacking energy: -110.293
Base-Backbone interact. energy: -2.610
local terms energy: -166.927744
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -50.611
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -28.198
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1118.817312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.817312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.817312 (E_RNA)
where:
Base-Base interactions energy: -791.218
where: short stacking energy: -334.311
Base-Backbone interact. energy: -0.756
local terms energy: -326.843230
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -94.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1103.566667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.566667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.566667 (E_RNA)
where:
Base-Base interactions energy: -764.558
where: short stacking energy: -320.395
Base-Backbone interact. energy: -2.950
local terms energy: -336.059045
where:
bonds (distance) C4'-P energy: -63.874
bonds (distance) P-C4' energy: -57.825
flat angles C4'-P-C4' energy: -74.736
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -88.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1020.018991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.018991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.018991 (E_RNA)
where:
Base-Base interactions energy: -696.848
where: short stacking energy: -292.765
Base-Backbone interact. energy: -0.131
local terms energy: -323.040047
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -62.917
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -88.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1053.528609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.528609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.528609 (E_RNA)
where:
Base-Base interactions energy: -728.925
where: short stacking energy: -307.103
Base-Backbone interact. energy: -0.301
local terms energy: -324.302330
where:
bonds (distance) C4'-P energy: -61.147
bonds (distance) P-C4' energy: -63.496
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -85.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -997.010176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.010176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.010176 (E_RNA)
where:
Base-Base interactions energy: -683.425
where: short stacking energy: -291.512
Base-Backbone interact. energy: -0.048
local terms energy: -313.536947
where:
bonds (distance) C4'-P energy: -54.190
bonds (distance) P-C4' energy: -55.043
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -49.280
tors. eta vs tors. theta energy: -89.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -937.743353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.743353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.743353 (E_RNA)
where:
Base-Base interactions energy: -650.556
where: short stacking energy: -267.739
Base-Backbone interact. energy: -0.517
local terms energy: -286.669930
where:
bonds (distance) C4'-P energy: -60.694
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -53.142
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -77.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -881.227006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.227006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.227006 (E_RNA)
where:
Base-Base interactions energy: -614.344
where: short stacking energy: -264.957
Base-Backbone interact. energy: -0.443
local terms energy: -266.440597
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -72.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -724.728761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.728761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.728761 (E_RNA)
where:
Base-Base interactions energy: -525.452
where: short stacking energy: -211.507
Base-Backbone interact. energy: 0.581
local terms energy: -199.857741
where:
bonds (distance) C4'-P energy: -40.193
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -674.167678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.167678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.167678 (E_RNA)
where:
Base-Base interactions energy: -449.129
where: short stacking energy: -196.095
Base-Backbone interact. energy: 1.242
local terms energy: -226.280435
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -59.619
flat angles C4'-P-C4' energy: -48.715
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -386.006550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.006550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.006550 (E_RNA)
where:
Base-Base interactions energy: -203.799
where: short stacking energy: -136.888
Base-Backbone interact. energy: -1.358
local terms energy: -180.849647
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -45.280
flat angles P-C4'-P energy: -27.766
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1128.381971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.381971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.381971 (E_RNA)
where:
Base-Base interactions energy: -779.180
where: short stacking energy: -334.933
Base-Backbone interact. energy: -0.660
local terms energy: -348.542010
where:
bonds (distance) C4'-P energy: -61.827
bonds (distance) P-C4' energy: -64.330
flat angles C4'-P-C4' energy: -73.430
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -98.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1089.347246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.347246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.347246 (E_RNA)
where:
Base-Base interactions energy: -765.454
where: short stacking energy: -334.066
Base-Backbone interact. energy: 1.600
local terms energy: -325.493616
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -59.175
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -90.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1048.478936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.478936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.478936 (E_RNA)
where:
Base-Base interactions energy: -721.304
where: short stacking energy: -301.789
Base-Backbone interact. energy: -1.611
local terms energy: -325.563731
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -56.232
flat angles C4'-P-C4' energy: -68.626
flat angles P-C4'-P energy: -46.940
tors. eta vs tors. theta energy: -93.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1013.249383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.249383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.249383 (E_RNA)
where:
Base-Base interactions energy: -712.721
where: short stacking energy: -317.610
Base-Backbone interact. energy: -0.446
local terms energy: -300.082320
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -63.416
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -78.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1013.388574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.388574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.388574 (E_RNA)
where:
Base-Base interactions energy: -694.031
where: short stacking energy: -302.576
Base-Backbone interact. energy: 0.250
local terms energy: -319.607684
where:
bonds (distance) C4'-P energy: -61.321
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -74.257
flat angles P-C4'-P energy: -43.200
tors. eta vs tors. theta energy: -88.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -929.091868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.091868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.091868 (E_RNA)
where:
Base-Base interactions energy: -653.128
where: short stacking energy: -278.770
Base-Backbone interact. energy: -0.180
local terms energy: -275.784170
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -60.876
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -75.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -880.301593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.301593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.301593 (E_RNA)
where:
Base-Base interactions energy: -593.316
where: short stacking energy: -252.251
Base-Backbone interact. energy: -0.892
local terms energy: -286.093749
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -61.670
flat angles C4'-P-C4' energy: -59.816
flat angles P-C4'-P energy: -44.475
tors. eta vs tors. theta energy: -67.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -711.920667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.920667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.920667 (E_RNA)
where:
Base-Base interactions energy: -461.662
where: short stacking energy: -206.313
Base-Backbone interact. energy: -2.633
local terms energy: -247.625450
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -59.082
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -47.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -631.140379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.140379 (E_RNA)
where:
Base-Base interactions energy: -414.227
where: short stacking energy: -204.038
Base-Backbone interact. energy: -0.629
local terms energy: -216.284401
where:
bonds (distance) C4'-P energy: -50.129
bonds (distance) P-C4' energy: -47.214
flat angles C4'-P-C4' energy: -46.100
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -404.556988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.556988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.556988 (E_RNA)
where:
Base-Base interactions energy: -229.333
where: short stacking energy: -127.065
Base-Backbone interact. energy: -0.059
local terms energy: -175.164759
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -55.770
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1138.556286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.556286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.556286 (E_RNA)
where:
Base-Base interactions energy: -802.499
where: short stacking energy: -340.501
Base-Backbone interact. energy: -0.339
local terms energy: -335.717887
where:
bonds (distance) C4'-P energy: -65.090
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -69.266
flat angles P-C4'-P energy: -46.752
tors. eta vs tors. theta energy: -97.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1115.110609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.110609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.110609 (E_RNA)
where:
Base-Base interactions energy: -794.302
where: short stacking energy: -326.435
Base-Backbone interact. energy: 6.381
local terms energy: -327.190202
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -65.462
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -91.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1050.991947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.991947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.991947 (E_RNA)
where:
Base-Base interactions energy: -735.748
where: short stacking energy: -311.769
Base-Backbone interact. energy: -1.295
local terms energy: -313.949207
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: -88.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1002.522531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.522531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.522531 (E_RNA)
where:
Base-Base interactions energy: -693.892
where: short stacking energy: -294.020
Base-Backbone interact. energy: -0.984
local terms energy: -307.646815
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -69.503
flat angles P-C4'-P energy: -37.542
tors. eta vs tors. theta energy: -83.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1024.795735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.795735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.795735 (E_RNA)
where:
Base-Base interactions energy: -707.758
where: short stacking energy: -307.996
Base-Backbone interact. energy: -1.886
local terms energy: -315.151482
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -61.956
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: -89.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -967.657628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.657628 (E_RNA)
where:
Base-Base interactions energy: -680.437
where: short stacking energy: -282.700
Base-Backbone interact. energy: 5.691
local terms energy: -292.911641
where:
bonds (distance) C4'-P energy: -53.761
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -67.947
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -74.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -841.310794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.310794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.310794 (E_RNA)
where:
Base-Base interactions energy: -574.726
where: short stacking energy: -242.633
Base-Backbone interact. energy: -1.359
local terms energy: -265.225845
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -63.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -644.206759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.206759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.206759 (E_RNA)
where:
Base-Base interactions energy: -419.546
where: short stacking energy: -198.249
Base-Backbone interact. energy: -1.764
local terms energy: -222.896530
where:
bonds (distance) C4'-P energy: -46.463
bonds (distance) P-C4' energy: -48.160
flat angles C4'-P-C4' energy: -57.991
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -44.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -666.590402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.590402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.590402 (E_RNA)
where:
Base-Base interactions energy: -450.090
where: short stacking energy: -183.283
Base-Backbone interact. energy: -1.157
local terms energy: -215.343071
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -44.252
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -31.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -408.132619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.132619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.132619 (E_RNA)
where:
Base-Base interactions energy: -228.241
where: short stacking energy: -118.687
Base-Backbone interact. energy: -0.710
local terms energy: -179.181411
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1135.779970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.779970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.779970 (E_RNA)
where:
Base-Base interactions energy: -812.244
where: short stacking energy: -331.052
Base-Backbone interact. energy: -0.225
local terms energy: -323.311056
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -65.203
flat angles C4'-P-C4' energy: -68.284
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -94.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1092.861392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.861392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.861392 (E_RNA)
where:
Base-Base interactions energy: -768.169
where: short stacking energy: -338.279
Base-Backbone interact. energy: 5.016
local terms energy: -329.707981
where:
bonds (distance) C4'-P energy: -63.685
bonds (distance) P-C4' energy: -60.541
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -93.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1049.318308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.318308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.318308 (E_RNA)
where:
Base-Base interactions energy: -722.122
where: short stacking energy: -330.788
Base-Backbone interact. energy: -1.847
local terms energy: -325.349235
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -66.641
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -49.676
tors. eta vs tors. theta energy: -92.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1029.621437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.621437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.621437 (E_RNA)
where:
Base-Base interactions energy: -734.693
where: short stacking energy: -321.639
Base-Backbone interact. energy: -0.407
local terms energy: -294.521111
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -89.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -953.009245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.009245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.009245 (E_RNA)
where:
Base-Base interactions energy: -663.251
where: short stacking energy: -288.590
Base-Backbone interact. energy: -0.618
local terms energy: -289.139955
where:
bonds (distance) C4'-P energy: -60.099
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -66.340
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -78.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1000.501317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.501317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.501317 (E_RNA)
where:
Base-Base interactions energy: -696.660
where: short stacking energy: -302.131
Base-Backbone interact. energy: -1.190
local terms energy: -302.651292
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -94.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -858.878467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.878467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.878467 (E_RNA)
where:
Base-Base interactions energy: -595.844
where: short stacking energy: -266.260
Base-Backbone interact. energy: -0.929
local terms energy: -262.105633
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -71.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -613.813235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.813235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.813235 (E_RNA)
where:
Base-Base interactions energy: -405.339
where: short stacking energy: -204.369
Base-Backbone interact. energy: 3.527
local terms energy: -212.002022
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -53.872
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -38.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -708.208747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.208747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.208747 (E_RNA)
where:
Base-Base interactions energy: -472.903
where: short stacking energy: -210.970
Base-Backbone interact. energy: -0.171
local terms energy: -235.135184
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -48.986
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -46.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -400.135401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.135401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.135401 (E_RNA)
where:
Base-Base interactions energy: -212.648
where: short stacking energy: -88.360
Base-Backbone interact. energy: -0.488
local terms energy: -186.999109
where:
bonds (distance) C4'-P energy: -43.797
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -48.755
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1144.071863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.071863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.071863 (E_RNA)
where:
Base-Base interactions energy: -799.326
where: short stacking energy: -335.952
Base-Backbone interact. energy: -0.204
local terms energy: -344.542520
where:
bonds (distance) C4'-P energy: -61.180
bonds (distance) P-C4' energy: -71.155
flat angles C4'-P-C4' energy: -70.950
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -98.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1088.455012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.455012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.455012 (E_RNA)
where:
Base-Base interactions energy: -776.409
where: short stacking energy: -331.601
Base-Backbone interact. energy: -0.586
local terms energy: -311.459836
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -70.110
flat angles P-C4'-P energy: -47.194
tors. eta vs tors. theta energy: -93.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1049.898571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.898571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.898571 (E_RNA)
where:
Base-Base interactions energy: -719.770
where: short stacking energy: -319.261
Base-Backbone interact. energy: -4.346
local terms energy: -325.783139
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -71.611
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -92.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1025.579651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.579651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.579651 (E_RNA)
where:
Base-Base interactions energy: -713.354
where: short stacking energy: -296.659
Base-Backbone interact. energy: -2.274
local terms energy: -309.951124
where:
bonds (distance) C4'-P energy: -56.218
bonds (distance) P-C4' energy: -59.128
flat angles C4'-P-C4' energy: -59.621
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -89.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -948.272179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.272179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.272179 (E_RNA)
where:
Base-Base interactions energy: -652.345
where: short stacking energy: -288.727
Base-Backbone interact. energy: -1.294
local terms energy: -294.634013
where:
bonds (distance) C4'-P energy: -60.697
bonds (distance) P-C4' energy: -67.611
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -76.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -989.123977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.123977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.123977 (E_RNA)
where:
Base-Base interactions energy: -700.299
where: short stacking energy: -276.219
Base-Backbone interact. energy: -0.658
local terms energy: -288.167226
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -65.422
flat angles P-C4'-P energy: -37.015
tors. eta vs tors. theta energy: -83.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -855.471208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.471208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.471208 (E_RNA)
where:
Base-Base interactions energy: -574.729
where: short stacking energy: -238.040
Base-Backbone interact. energy: -2.112
local terms energy: -278.630861
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -50.602
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -65.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -687.907724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.907724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.907724 (E_RNA)
where:
Base-Base interactions energy: -455.942
where: short stacking energy: -185.923
Base-Backbone interact. energy: -0.834
local terms energy: -231.132120
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -41.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -619.401430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.401430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.401430 (E_RNA)
where:
Base-Base interactions energy: -385.766
where: short stacking energy: -188.552
Base-Backbone interact. energy: -0.727
local terms energy: -232.908601
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -56.610
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -461.794152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.794152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.794152 (E_RNA)
where:
Base-Base interactions energy: -263.174
where: short stacking energy: -124.095
Base-Backbone interact. energy: 3.351
local terms energy: -201.971761
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -47.436
flat angles P-C4'-P energy: -30.217
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1135.504032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.504032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.504032 (E_RNA)
where:
Base-Base interactions energy: -816.823
where: short stacking energy: -333.444
Base-Backbone interact. energy: -0.136
local terms energy: -318.545311
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -60.917
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -94.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1088.468482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.468482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.468482 (E_RNA)
where:
Base-Base interactions energy: -761.436
where: short stacking energy: -304.760
Base-Backbone interact. energy: -1.334
local terms energy: -325.698458
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -60.849
flat angles C4'-P-C4' energy: -68.832
flat angles P-C4'-P energy: -41.907
tors. eta vs tors. theta energy: -93.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1060.974465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.974465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.974465 (E_RNA)
where:
Base-Base interactions energy: -730.630
where: short stacking energy: -320.528
Base-Backbone interact. energy: 1.435
local terms energy: -331.779504
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -66.856
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: -90.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -999.769410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.769410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.769410 (E_RNA)
where:
Base-Base interactions energy: -699.359
where: short stacking energy: -309.792
Base-Backbone interact. energy: -2.126
local terms energy: -298.284984
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -62.452
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -79.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -989.237873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.237873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.237873 (E_RNA)
where:
Base-Base interactions energy: -681.530
where: short stacking energy: -301.657
Base-Backbone interact. energy: 1.932
local terms energy: -309.640615
where:
bonds (distance) C4'-P energy: -39.050
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -68.417
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -95.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -932.871195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.871195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.871195 (E_RNA)
where:
Base-Base interactions energy: -645.012
where: short stacking energy: -278.977
Base-Backbone interact. energy: 0.483
local terms energy: -288.341332
where:
bonds (distance) C4'-P energy: -57.946
bonds (distance) P-C4' energy: -56.379
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -81.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -887.888858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.888858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.888858 (E_RNA)
where:
Base-Base interactions energy: -605.423
where: short stacking energy: -264.365
Base-Backbone interact. energy: -0.704
local terms energy: -281.762187
where:
bonds (distance) C4'-P energy: -51.024
bonds (distance) P-C4' energy: -56.868
flat angles C4'-P-C4' energy: -56.095
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -74.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -646.469589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.469589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.469589 (E_RNA)
where:
Base-Base interactions energy: -415.820
where: short stacking energy: -185.504
Base-Backbone interact. energy: -1.177
local terms energy: -229.473497
where:
bonds (distance) C4'-P energy: -51.413
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -49.161
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -35.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -605.859784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.859784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.859784 (E_RNA)
where:
Base-Base interactions energy: -390.462
where: short stacking energy: -182.599
Base-Backbone interact. energy: -1.126
local terms energy: -214.271061
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -60.974
flat angles P-C4'-P energy: -36.210
tors. eta vs tors. theta energy: -28.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -459.978569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.978569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.978569 (E_RNA)
where:
Base-Base interactions energy: -263.559
where: short stacking energy: -126.507
Base-Backbone interact. energy: 0.523
local terms energy: -196.942925
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1109.590266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.590266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.590266 (E_RNA)
where:
Base-Base interactions energy: -790.606
where: short stacking energy: -329.730
Base-Backbone interact. energy: -0.799
local terms energy: -318.185065
where:
bonds (distance) C4'-P energy: -58.165
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -72.250
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -95.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1078.252474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.252474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.252474 (E_RNA)
where:
Base-Base interactions energy: -755.539
where: short stacking energy: -303.829
Base-Backbone interact. energy: -2.242
local terms energy: -320.470836
where:
bonds (distance) C4'-P energy: -64.227
bonds (distance) P-C4' energy: -62.779
flat angles C4'-P-C4' energy: -66.126
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -82.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1030.150836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.150836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.150836 (E_RNA)
where:
Base-Base interactions energy: -718.267
where: short stacking energy: -325.712
Base-Backbone interact. energy: -0.716
local terms energy: -311.168264
where:
bonds (distance) C4'-P energy: -59.188
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -68.324
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1022.987134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.987134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.987134 (E_RNA)
where:
Base-Base interactions energy: -695.731
where: short stacking energy: -302.211
Base-Backbone interact. energy: -1.463
local terms energy: -325.793477
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -53.826
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -91.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -976.358319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.358319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.358319 (E_RNA)
where:
Base-Base interactions energy: -670.710
where: short stacking energy: -287.871
Base-Backbone interact. energy: -1.158
local terms energy: -304.489801
where:
bonds (distance) C4'-P energy: -59.971
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -65.200
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -82.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -917.781311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.781311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.781311 (E_RNA)
where:
Base-Base interactions energy: -624.551
where: short stacking energy: -278.482
Base-Backbone interact. energy: -1.488
local terms energy: -291.742835
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -55.323
flat angles C4'-P-C4' energy: -60.761
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -82.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -870.589814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.589814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.589814 (E_RNA)
where:
Base-Base interactions energy: -596.362
where: short stacking energy: -256.769
Base-Backbone interact. energy: 0.323
local terms energy: -274.550638
where:
bonds (distance) C4'-P energy: -39.245
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -66.619
flat angles P-C4'-P energy: -42.063
tors. eta vs tors. theta energy: -74.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -723.028833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.028833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.028833 (E_RNA)
where:
Base-Base interactions energy: -466.866
where: short stacking energy: -220.151
Base-Backbone interact. energy: 0.792
local terms energy: -256.954928
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -56.180
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -52.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -555.829944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.829944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.829944 (E_RNA)
where:
Base-Base interactions energy: -343.455
where: short stacking energy: -159.509
Base-Backbone interact. energy: 0.278
local terms energy: -212.653365
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -60.365
flat angles C4'-P-C4' energy: -44.262
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -32.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -469.186196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.186196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.186196 (E_RNA)
where:
Base-Base interactions energy: -277.891
where: short stacking energy: -146.038
Base-Backbone interact. energy: -1.328
local terms energy: -189.966698
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -60.758
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -29.890
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1129.078784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.078784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.078784 (E_RNA)
where:
Base-Base interactions energy: -804.374
where: short stacking energy: -328.828
Base-Backbone interact. energy: -0.867
local terms energy: -323.838400
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -64.429
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: -92.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1080.460373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.460373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.460373 (E_RNA)
where:
Base-Base interactions energy: -737.249
where: short stacking energy: -307.669
Base-Backbone interact. energy: -1.170
local terms energy: -342.041371
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -67.686
flat angles C4'-P-C4' energy: -68.060
flat angles P-C4'-P energy: -53.605
tors. eta vs tors. theta energy: -95.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1049.344447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.344447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.344447 (E_RNA)
where:
Base-Base interactions energy: -722.761
where: short stacking energy: -327.432
Base-Backbone interact. energy: -1.358
local terms energy: -325.225415
where:
bonds (distance) C4'-P energy: -53.951
bonds (distance) P-C4' energy: -71.809
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -49.951
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -990.499702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.499702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.499702 (E_RNA)
where:
Base-Base interactions energy: -691.289
where: short stacking energy: -301.335
Base-Backbone interact. energy: -0.535
local terms energy: -298.676300
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -85.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -992.520922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.520922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.520922 (E_RNA)
where:
Base-Base interactions energy: -705.296
where: short stacking energy: -316.104
Base-Backbone interact. energy: -1.134
local terms energy: -286.090566
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -47.236
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -41.869
tors. eta vs tors. theta energy: -86.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -930.662284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.662284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.662284 (E_RNA)
where:
Base-Base interactions energy: -632.147
where: short stacking energy: -291.269
Base-Backbone interact. energy: -0.258
local terms energy: -298.256718
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -44.868
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -84.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -867.895597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.895597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.895597 (E_RNA)
where:
Base-Base interactions energy: -594.978
where: short stacking energy: -246.808
Base-Backbone interact. energy: -0.812
local terms energy: -272.104828
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -52.370
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -67.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -717.439108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.439108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.439108 (E_RNA)
where:
Base-Base interactions energy: -464.947
where: short stacking energy: -210.613
Base-Backbone interact. energy: -2.111
local terms energy: -250.381518
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -637.539488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.539488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.539488 (E_RNA)
where:
Base-Base interactions energy: -426.906
where: short stacking energy: -178.878
Base-Backbone interact. energy: -2.370
local terms energy: -208.263522
where:
bonds (distance) C4'-P energy: -42.571
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -50.161
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -37.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -444.456963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.456963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.456963 (E_RNA)
where:
Base-Base interactions energy: -226.406
where: short stacking energy: -121.600
Base-Backbone interact. energy: -0.842
local terms energy: -217.208595
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -52.998
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1144.975943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.975943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.975943 (E_RNA)
where:
Base-Base interactions energy: -814.115
where: short stacking energy: -324.715
Base-Backbone interact. energy: -2.020
local terms energy: -328.840859
where:
bonds (distance) C4'-P energy: -63.545
bonds (distance) P-C4' energy: -59.267
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -96.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1079.173976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.173976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.173976 (E_RNA)
where:
Base-Base interactions energy: -757.634
where: short stacking energy: -324.743
Base-Backbone interact. energy: -1.410
local terms energy: -320.129448
where:
bonds (distance) C4'-P energy: -54.896
bonds (distance) P-C4' energy: -65.343
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -91.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1038.666780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.666780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.666780 (E_RNA)
where:
Base-Base interactions energy: -717.901
where: short stacking energy: -321.615
Base-Backbone interact. energy: -0.594
local terms energy: -320.171588
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -88.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1024.955210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.955210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.955210 (E_RNA)
where:
Base-Base interactions energy: -716.580
where: short stacking energy: -303.924
Base-Backbone interact. energy: -0.460
local terms energy: -307.915338
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -63.133
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -969.957608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.957608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.957608 (E_RNA)
where:
Base-Base interactions energy: -670.887
where: short stacking energy: -280.498
Base-Backbone interact. energy: -0.323
local terms energy: -298.747281
where:
bonds (distance) C4'-P energy: -47.268
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -63.174
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -84.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -935.683365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.683365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.683365 (E_RNA)
where:
Base-Base interactions energy: -646.221
where: short stacking energy: -274.172
Base-Backbone interact. energy: -1.092
local terms energy: -288.370174
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -62.415
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -81.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -856.320789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.320789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.320789 (E_RNA)
where:
Base-Base interactions energy: -600.530
where: short stacking energy: -245.547
Base-Backbone interact. energy: -3.781
local terms energy: -252.009800
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -63.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -685.384158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.384158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.384158 (E_RNA)
where:
Base-Base interactions energy: -445.623
where: short stacking energy: -188.455
Base-Backbone interact. energy: -1.149
local terms energy: -238.611578
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -53.692
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -729.171760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.171760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.171760 (E_RNA)
where:
Base-Base interactions energy: -491.699
where: short stacking energy: -219.999
Base-Backbone interact. energy: -1.520
local terms energy: -235.952480
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -48.876
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -52.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -394.134740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.134740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.134740 (E_RNA)
where:
Base-Base interactions energy: -218.107
where: short stacking energy: -123.160
Base-Backbone interact. energy: -0.610
local terms energy: -175.418041
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -47.016
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1135.085765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.085765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.085765 (E_RNA)
where:
Base-Base interactions energy: -795.982
where: short stacking energy: -332.164
Base-Backbone interact. energy: 0.147
local terms energy: -339.250827
where:
bonds (distance) C4'-P energy: -62.687
bonds (distance) P-C4' energy: -60.428
flat angles C4'-P-C4' energy: -67.989
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -99.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1087.360524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.360524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.360524 (E_RNA)
where:
Base-Base interactions energy: -770.749
where: short stacking energy: -322.375
Base-Backbone interact. energy: 1.466
local terms energy: -318.078261
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -58.968
flat angles C4'-P-C4' energy: -60.089
flat angles P-C4'-P energy: -48.516
tors. eta vs tors. theta energy: -88.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1050.295530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.295530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.295530 (E_RNA)
where:
Base-Base interactions energy: -708.440
where: short stacking energy: -311.178
Base-Backbone interact. energy: -0.006
local terms energy: -341.849118
where:
bonds (distance) C4'-P energy: -66.132
bonds (distance) P-C4' energy: -67.674
flat angles C4'-P-C4' energy: -69.193
flat angles P-C4'-P energy: -48.935
tors. eta vs tors. theta energy: -89.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1010.456425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.456425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.456425 (E_RNA)
where:
Base-Base interactions energy: -704.538
where: short stacking energy: -315.079
Base-Backbone interact. energy: 0.593
local terms energy: -306.510848
where:
bonds (distance) C4'-P energy: -50.823
bonds (distance) P-C4' energy: -60.291
flat angles C4'-P-C4' energy: -62.866
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -88.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -964.852157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.852157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.852157 (E_RNA)
where:
Base-Base interactions energy: -667.087
where: short stacking energy: -296.562
Base-Backbone interact. energy: -0.904
local terms energy: -296.860686
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -59.211
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -84.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -940.450813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.450813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.450813 (E_RNA)
where:
Base-Base interactions energy: -655.992
where: short stacking energy: -274.311
Base-Backbone interact. energy: 0.674
local terms energy: -285.133068
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -857.731738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.731738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.731738 (E_RNA)
where:
Base-Base interactions energy: -585.080
where: short stacking energy: -259.318
Base-Backbone interact. energy: -0.494
local terms energy: -272.157122
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -60.432
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -69.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -714.748689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.748689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.748689 (E_RNA)
where:
Base-Base interactions energy: -467.706
where: short stacking energy: -204.162
Base-Backbone interact. energy: 0.577
local terms energy: -247.619596
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -716.255417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.255417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.255417 (E_RNA)
where:
Base-Base interactions energy: -457.125
where: short stacking energy: -199.464
Base-Backbone interact. energy: -0.258
local terms energy: -258.872365
where:
bonds (distance) C4'-P energy: -58.240
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -59.569
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -406.006020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.006020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.006020 (E_RNA)
where:
Base-Base interactions energy: -208.190
where: short stacking energy: -117.632
Base-Backbone interact. energy: -0.669
local terms energy: -197.147447
where:
bonds (distance) C4'-P energy: -51.171
bonds (distance) P-C4' energy: -54.756
flat angles C4'-P-C4' energy: -46.480
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1155.013289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.013289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.013289 (E_RNA)
where:
Base-Base interactions energy: -823.214
where: short stacking energy: -340.751
Base-Backbone interact. energy: -0.039
local terms energy: -331.759790
where:
bonds (distance) C4'-P energy: -59.051
bonds (distance) P-C4' energy: -60.204
flat angles C4'-P-C4' energy: -72.886
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -99.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1103.589624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.589624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.589624 (E_RNA)
where:
Base-Base interactions energy: -794.765
where: short stacking energy: -330.484
Base-Backbone interact. energy: -0.613
local terms energy: -308.211056
where:
bonds (distance) C4'-P energy: -45.960
bonds (distance) P-C4' energy: -62.830
flat angles C4'-P-C4' energy: -57.291
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -92.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1037.686069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.686069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.686069 (E_RNA)
where:
Base-Base interactions energy: -729.083
where: short stacking energy: -320.169
Base-Backbone interact. energy: -0.671
local terms energy: -307.932201
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -61.019
flat angles P-C4'-P energy: -37.706
tors. eta vs tors. theta energy: -103.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -993.938118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.938118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.938118 (E_RNA)
where:
Base-Base interactions energy: -687.313
where: short stacking energy: -305.083
Base-Backbone interact. energy: -1.176
local terms energy: -305.448723
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -83.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -994.600479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.600479 (E_RNA)
where:
Base-Base interactions energy: -698.037
where: short stacking energy: -308.286
Base-Backbone interact. energy: -0.781
local terms energy: -295.782904
where:
bonds (distance) C4'-P energy: -48.820
bonds (distance) P-C4' energy: -65.935
flat angles C4'-P-C4' energy: -54.907
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -91.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -943.820654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.820654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.820654 (E_RNA)
where:
Base-Base interactions energy: -674.603
where: short stacking energy: -269.177
Base-Backbone interact. energy: -0.877
local terms energy: -268.340514
where:
bonds (distance) C4'-P energy: -42.571
bonds (distance) P-C4' energy: -56.179
flat angles C4'-P-C4' energy: -55.501
flat angles P-C4'-P energy: -34.783
tors. eta vs tors. theta energy: -79.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -879.734819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.734819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.734819 (E_RNA)
where:
Base-Base interactions energy: -614.916
where: short stacking energy: -236.903
Base-Backbone interact. energy: -0.743
local terms energy: -264.075790
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -47.736
flat angles C4'-P-C4' energy: -67.260
flat angles P-C4'-P energy: -34.731
tors. eta vs tors. theta energy: -65.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -712.917962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.917962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.917962 (E_RNA)
where:
Base-Base interactions energy: -465.960
where: short stacking energy: -206.150
Base-Backbone interact. energy: 0.915
local terms energy: -247.873250
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -57.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -631.012701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.012701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.012701 (E_RNA)
where:
Base-Base interactions energy: -429.953
where: short stacking energy: -184.183
Base-Backbone interact. energy: 0.714
local terms energy: -201.772992
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -46.096
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -28.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -421.529306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.529306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.529306 (E_RNA)
where:
Base-Base interactions energy: -233.209
where: short stacking energy: -136.447
Base-Backbone interact. energy: -0.339
local terms energy: -187.981499
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -58.226
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1135.678860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.678860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.678860 (E_RNA)
where:
Base-Base interactions energy: -794.875
where: short stacking energy: -321.591
Base-Backbone interact. energy: -0.979
local terms energy: -339.824898
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -63.393
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -97.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1084.981707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.981707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.981707 (E_RNA)
where:
Base-Base interactions energy: -762.750
where: short stacking energy: -312.589
Base-Backbone interact. energy: 0.946
local terms energy: -323.177381
where:
bonds (distance) C4'-P energy: -50.861
bonds (distance) P-C4' energy: -62.216
flat angles C4'-P-C4' energy: -69.571
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: -90.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1022.813367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.813367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.813367 (E_RNA)
where:
Base-Base interactions energy: -720.413
where: short stacking energy: -310.987
Base-Backbone interact. energy: -0.533
local terms energy: -301.867551
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -70.222
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -82.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1015.964700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.964700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.964700 (E_RNA)
where:
Base-Base interactions energy: -716.409
where: short stacking energy: -312.882
Base-Backbone interact. energy: -0.325
local terms energy: -299.230172
where:
bonds (distance) C4'-P energy: -52.776
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -56.765
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -88.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -972.710200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.710200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.710200 (E_RNA)
where:
Base-Base interactions energy: -672.862
where: short stacking energy: -296.723
Base-Backbone interact. energy: -0.505
local terms energy: -299.343211
where:
bonds (distance) C4'-P energy: -56.016
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -89.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -987.568407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.568407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.568407 (E_RNA)
where:
Base-Base interactions energy: -679.509
where: short stacking energy: -280.361
Base-Backbone interact. energy: -1.246
local terms energy: -306.813625
where:
bonds (distance) C4'-P energy: -60.185
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -69.424
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -82.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -823.516127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.516127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.516127 (E_RNA)
where:
Base-Base interactions energy: -557.628
where: short stacking energy: -220.614
Base-Backbone interact. energy: -1.279
local terms energy: -264.609212
where:
bonds (distance) C4'-P energy: -49.613
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -55.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -718.964886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.964886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.964886 (E_RNA)
where:
Base-Base interactions energy: -468.984
where: short stacking energy: -207.927
Base-Backbone interact. energy: 0.205
local terms energy: -250.185565
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -46.761
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -35.127
tors. eta vs tors. theta energy: -55.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -618.560143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.560143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.560143 (E_RNA)
where:
Base-Base interactions energy: -389.576
where: short stacking energy: -205.029
Base-Backbone interact. energy: 2.886
local terms energy: -231.869732
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -65.740
flat angles P-C4'-P energy: -34.134
tors. eta vs tors. theta energy: -50.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -419.979448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.979448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.979448 (E_RNA)
where:
Base-Base interactions energy: -270.872
where: short stacking energy: -126.791
Base-Backbone interact. energy: -2.993
local terms energy: -146.113845
where:
bonds (distance) C4'-P energy: -41.464
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -36.630
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: 7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1132.607251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.607251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.607251 (E_RNA)
where:
Base-Base interactions energy: -796.244
where: short stacking energy: -327.104
Base-Backbone interact. energy: -0.011
local terms energy: -336.352549
where:
bonds (distance) C4'-P energy: -56.789
bonds (distance) P-C4' energy: -67.996
flat angles C4'-P-C4' energy: -69.077
flat angles P-C4'-P energy: -46.608
tors. eta vs tors. theta energy: -95.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1106.976850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.976850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.976850 (E_RNA)
where:
Base-Base interactions energy: -784.903
where: short stacking energy: -332.612
Base-Backbone interact. energy: -0.423
local terms energy: -321.650991
where:
bonds (distance) C4'-P energy: -58.340
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -71.376
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -89.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1033.765554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.765554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.765554 (E_RNA)
where:
Base-Base interactions energy: -708.923
where: short stacking energy: -319.893
Base-Backbone interact. energy: -1.484
local terms energy: -323.358961
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -91.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1005.048395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.048395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.048395 (E_RNA)
where:
Base-Base interactions energy: -688.419
where: short stacking energy: -296.901
Base-Backbone interact. energy: -1.102
local terms energy: -315.527660
where:
bonds (distance) C4'-P energy: -57.767
bonds (distance) P-C4' energy: -57.916
flat angles C4'-P-C4' energy: -67.972
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -88.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -977.800952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.800952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.800952 (E_RNA)
where:
Base-Base interactions energy: -672.752
where: short stacking energy: -288.723
Base-Backbone interact. energy: -2.443
local terms energy: -302.605704
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -63.303
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -975.598326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.598326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.598326 (E_RNA)
where:
Base-Base interactions energy: -676.394
where: short stacking energy: -286.449
Base-Backbone interact. energy: -0.618
local terms energy: -298.586491
where:
bonds (distance) C4'-P energy: -45.709
bonds (distance) P-C4' energy: -60.436
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -88.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -826.532335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.532335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.532335 (E_RNA)
where:
Base-Base interactions energy: -594.182
where: short stacking energy: -238.103
Base-Backbone interact. energy: 1.681
local terms energy: -234.031615
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -54.791
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -54.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -718.011521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.011521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.011521 (E_RNA)
where:
Base-Base interactions energy: -474.436
where: short stacking energy: -208.611
Base-Backbone interact. energy: 0.135
local terms energy: -243.710648
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -43.987
tors. eta vs tors. theta energy: -50.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -619.449163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.449163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.449163 (E_RNA)
where:
Base-Base interactions energy: -389.701
where: short stacking energy: -173.855
Base-Backbone interact. energy: 2.763
local terms energy: -232.510827
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -56.003
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -36.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -429.375806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.375806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.375806 (E_RNA)
where:
Base-Base interactions energy: -255.544
where: short stacking energy: -130.503
Base-Backbone interact. energy: 1.454
local terms energy: -175.286138
where:
bonds (distance) C4'-P energy: -39.280
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -49.205
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1110.790577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.790577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.790577 (E_RNA)
where:
Base-Base interactions energy: -781.098
where: short stacking energy: -319.993
Base-Backbone interact. energy: 0.046
local terms energy: -329.738972
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -74.750
flat angles C4'-P-C4' energy: -61.565
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -92.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1121.227785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.227785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.227785 (E_RNA)
where:
Base-Base interactions energy: -798.234
where: short stacking energy: -336.486
Base-Backbone interact. energy: 0.037
local terms energy: -323.030975
where:
bonds (distance) C4'-P energy: -64.163
bonds (distance) P-C4' energy: -58.899
flat angles C4'-P-C4' energy: -67.381
flat angles P-C4'-P energy: -39.519
tors. eta vs tors. theta energy: -93.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1057.121565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.121565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.121565 (E_RNA)
where:
Base-Base interactions energy: -738.537
where: short stacking energy: -334.220
Base-Backbone interact. energy: 0.691
local terms energy: -319.276113
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -64.936
flat angles C4'-P-C4' energy: -62.653
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -94.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -989.445435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.445435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.445435 (E_RNA)
where:
Base-Base interactions energy: -693.351
where: short stacking energy: -300.366
Base-Backbone interact. energy: -0.482
local terms energy: -295.612446
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -67.097
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -81.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -978.782184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.782184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.782184 (E_RNA)
where:
Base-Base interactions energy: -681.389
where: short stacking energy: -290.041
Base-Backbone interact. energy: -2.941
local terms energy: -294.451956
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -55.767
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -81.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -966.872499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.872499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.872499 (E_RNA)
where:
Base-Base interactions energy: -659.420
where: short stacking energy: -292.776
Base-Backbone interact. energy: -1.183
local terms energy: -306.270211
where:
bonds (distance) C4'-P energy: -53.897
bonds (distance) P-C4' energy: -61.358
flat angles C4'-P-C4' energy: -66.155
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: -81.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -774.057485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.057485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.057485 (E_RNA)
where:
Base-Base interactions energy: -510.255
where: short stacking energy: -245.184
Base-Backbone interact. energy: -2.021
local terms energy: -261.781601
where:
bonds (distance) C4'-P energy: -49.136
bonds (distance) P-C4' energy: -53.770
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -64.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -805.368949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.368949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.368949 (E_RNA)
where:
Base-Base interactions energy: -559.530
where: short stacking energy: -233.785
Base-Backbone interact. energy: -1.392
local terms energy: -244.447718
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: -57.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -633.908753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.908753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.908753 (E_RNA)
where:
Base-Base interactions energy: -398.397
where: short stacking energy: -198.395
Base-Backbone interact. energy: -3.114
local terms energy: -232.397548
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -55.916
flat angles P-C4'-P energy: -39.714
tors. eta vs tors. theta energy: -48.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -421.280926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.280926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.280926 (E_RNA)
where:
Base-Base interactions energy: -245.810
where: short stacking energy: -122.232
Base-Backbone interact. energy: -0.159
local terms energy: -175.311618
where:
bonds (distance) C4'-P energy: -39.966
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1118.636248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.636248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.636248 (E_RNA)
where:
Base-Base interactions energy: -775.146
where: short stacking energy: -323.013
Base-Backbone interact. energy: -2.062
local terms energy: -341.428490
where:
bonds (distance) C4'-P energy: -61.782
bonds (distance) P-C4' energy: -61.227
flat angles C4'-P-C4' energy: -73.282
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -90.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1137.438417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.438417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.438417 (E_RNA)
where:
Base-Base interactions energy: -810.203
where: short stacking energy: -346.801
Base-Backbone interact. energy: -1.090
local terms energy: -326.145325
where:
bonds (distance) C4'-P energy: -52.542
bonds (distance) P-C4' energy: -62.686
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -99.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1076.259181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.259181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.259181 (E_RNA)
where:
Base-Base interactions energy: -746.395
where: short stacking energy: -319.134
Base-Backbone interact. energy: -0.901
local terms energy: -328.963298
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -60.210
flat angles C4'-P-C4' energy: -68.868
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -97.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -980.041366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.041366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.041366 (E_RNA)
where:
Base-Base interactions energy: -677.798
where: short stacking energy: -284.954
Base-Backbone interact. energy: -0.151
local terms energy: -302.092626
where:
bonds (distance) C4'-P energy: -58.543
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -71.686
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -75.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -976.774856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.774856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.774856 (E_RNA)
where:
Base-Base interactions energy: -689.724
where: short stacking energy: -282.236
Base-Backbone interact. energy: -0.989
local terms energy: -286.061557
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -57.652
flat angles C4'-P-C4' energy: -66.505
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -87.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -952.884668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.884668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.884668 (E_RNA)
where:
Base-Base interactions energy: -650.642
where: short stacking energy: -286.310
Base-Backbone interact. energy: -0.107
local terms energy: -302.135174
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -63.907
flat angles C4'-P-C4' energy: -70.557
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -761.110708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.110708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.110708 (E_RNA)
where:
Base-Base interactions energy: -509.352
where: short stacking energy: -224.384
Base-Backbone interact. energy: -1.621
local terms energy: -250.136791
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -68.648
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -48.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -823.548167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.548167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.548167 (E_RNA)
where:
Base-Base interactions energy: -579.339
where: short stacking energy: -232.566
Base-Backbone interact. energy: -1.354
local terms energy: -242.855213
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -56.139
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -652.306663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.306663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.306663 (E_RNA)
where:
Base-Base interactions energy: -422.911
where: short stacking energy: -192.696
Base-Backbone interact. energy: 1.842
local terms energy: -231.237069
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -46.558
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: -55.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -462.672704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.672704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.672704 (E_RNA)
where:
Base-Base interactions energy: -289.148
where: short stacking energy: -140.411
Base-Backbone interact. energy: 0.381
local terms energy: -173.906507
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -54.137
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1123.678184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.678184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.678184 (E_RNA)
where:
Base-Base interactions energy: -809.306
where: short stacking energy: -329.320
Base-Backbone interact. energy: -2.507
local terms energy: -311.865144
where:
bonds (distance) C4'-P energy: -55.894
bonds (distance) P-C4' energy: -65.049
flat angles C4'-P-C4' energy: -54.137
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -87.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1102.274389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.274389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.274389 (E_RNA)
where:
Base-Base interactions energy: -771.747
where: short stacking energy: -322.416
Base-Backbone interact. energy: -0.732
local terms energy: -329.795314
where:
bonds (distance) C4'-P energy: -64.655
bonds (distance) P-C4' energy: -58.328
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -97.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1059.173852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.173852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.173852 (E_RNA)
where:
Base-Base interactions energy: -741.018
where: short stacking energy: -321.398
Base-Backbone interact. energy: -0.386
local terms energy: -317.770081
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -63.284
flat angles C4'-P-C4' energy: -67.003
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -87.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -979.488791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.488791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.488791 (E_RNA)
where:
Base-Base interactions energy: -673.723
where: short stacking energy: -293.587
Base-Backbone interact. energy: 1.132
local terms energy: -306.897123
where:
bonds (distance) C4'-P energy: -58.258
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -71.222
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -75.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -966.654266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.654266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.654266 (E_RNA)
where:
Base-Base interactions energy: -693.303
where: short stacking energy: -296.547
Base-Backbone interact. energy: -1.376
local terms energy: -271.975381
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -64.686
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -70.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -938.491319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.491319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.491319 (E_RNA)
where:
Base-Base interactions energy: -659.854
where: short stacking energy: -278.660
Base-Backbone interact. energy: -1.070
local terms energy: -277.567632
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -53.039
flat angles C4'-P-C4' energy: -61.155
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -81.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -844.303739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.303739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.303739 (E_RNA)
where:
Base-Base interactions energy: -582.485
where: short stacking energy: -272.527
Base-Backbone interact. energy: -0.310
local terms energy: -261.509439
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -74.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -758.488209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.488209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.488209 (E_RNA)
where:
Base-Base interactions energy: -506.924
where: short stacking energy: -216.774
Base-Backbone interact. energy: -0.399
local terms energy: -251.164451
where:
bonds (distance) C4'-P energy: -48.906
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -50.025
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -604.408363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.408363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.408363 (E_RNA)
where:
Base-Base interactions energy: -395.371
where: short stacking energy: -173.726
Base-Backbone interact. energy: -1.059
local terms energy: -207.978083
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -52.456
flat angles C4'-P-C4' energy: -48.192
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -38.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -414.054228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.054228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.054228 (E_RNA)
where:
Base-Base interactions energy: -223.081
where: short stacking energy: -119.438
Base-Backbone interact. energy: -1.570
local terms energy: -189.402621
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -44.577
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1125.909774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.909774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.909774 (E_RNA)
where:
Base-Base interactions energy: -798.839
where: short stacking energy: -335.231
Base-Backbone interact. energy: -1.205
local terms energy: -325.865295
where:
bonds (distance) C4'-P energy: -63.028
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -67.730
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: -95.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1102.523583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.523583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.523583 (E_RNA)
where:
Base-Base interactions energy: -785.132
where: short stacking energy: -323.443
Base-Backbone interact. energy: -0.995
local terms energy: -316.397181
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -58.495
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -39.102
tors. eta vs tors. theta energy: -94.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1047.325402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.325402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.325402 (E_RNA)
where:
Base-Base interactions energy: -730.605
where: short stacking energy: -318.078
Base-Backbone interact. energy: -1.435
local terms energy: -315.285953
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -58.144
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -97.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -990.565597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.565597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.565597 (E_RNA)
where:
Base-Base interactions energy: -693.707
where: short stacking energy: -319.916
Base-Backbone interact. energy: -0.565
local terms energy: -296.293322
where:
bonds (distance) C4'-P energy: -61.031
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -67.995
flat angles P-C4'-P energy: -39.254
tors. eta vs tors. theta energy: -81.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -976.468680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.468680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.468680 (E_RNA)
where:
Base-Base interactions energy: -682.455
where: short stacking energy: -289.796
Base-Backbone interact. energy: 9.810
local terms energy: -303.823787
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -59.506
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -76.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -950.209841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.209841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.209841 (E_RNA)
where:
Base-Base interactions energy: -664.709
where: short stacking energy: -281.522
Base-Backbone interact. energy: -2.215
local terms energy: -283.284893
where:
bonds (distance) C4'-P energy: -57.069
bonds (distance) P-C4' energy: -48.053
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -72.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -879.025577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.025577 (E_RNA)
where:
Base-Base interactions energy: -612.613
where: short stacking energy: -272.242
Base-Backbone interact. energy: -0.674
local terms energy: -265.739023
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -55.608
flat angles P-C4'-P energy: -44.581
tors. eta vs tors. theta energy: -78.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -749.817731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.817731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.817731 (E_RNA)
where:
Base-Base interactions energy: -490.173
where: short stacking energy: -217.256
Base-Backbone interact. energy: -0.395
local terms energy: -259.249671
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -61.020
flat angles C4'-P-C4' energy: -60.796
flat angles P-C4'-P energy: -42.373
tors. eta vs tors. theta energy: -53.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -624.976747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.976747 (E_RNA)
where:
Base-Base interactions energy: -383.738
where: short stacking energy: -171.897
Base-Backbone interact. energy: 0.270
local terms energy: -241.508678
where:
bonds (distance) C4'-P energy: -58.754
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -57.606
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -40.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -406.170338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.170338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.170338 (E_RNA)
where:
Base-Base interactions energy: -228.325
where: short stacking energy: -109.621
Base-Backbone interact. energy: 1.957
local terms energy: -179.802216
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -56.957
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1109.911923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.911923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.911923 (E_RNA)
where:
Base-Base interactions energy: -788.576
where: short stacking energy: -319.816
Base-Backbone interact. energy: -0.596
local terms energy: -320.740100
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -68.270
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -96.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1100.271795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.271795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.271795 (E_RNA)
where:
Base-Base interactions energy: -757.606
where: short stacking energy: -321.890
Base-Backbone interact. energy: -0.865
local terms energy: -341.800242
where:
bonds (distance) C4'-P energy: -60.584
bonds (distance) P-C4' energy: -70.344
flat angles C4'-P-C4' energy: -69.617
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -98.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1046.778860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.778860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.778860 (E_RNA)
where:
Base-Base interactions energy: -719.873
where: short stacking energy: -305.733
Base-Backbone interact. energy: 0.992
local terms energy: -327.897891
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -59.241
flat angles C4'-P-C4' energy: -70.927
flat angles P-C4'-P energy: -49.080
tors. eta vs tors. theta energy: -90.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -984.411610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.411610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.411610 (E_RNA)
where:
Base-Base interactions energy: -679.975
where: short stacking energy: -303.411
Base-Backbone interact. energy: -0.658
local terms energy: -303.779181
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -54.141
flat angles C4'-P-C4' energy: -72.640
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -983.698087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.698087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.698087 (E_RNA)
where:
Base-Base interactions energy: -682.586
where: short stacking energy: -291.229
Base-Backbone interact. energy: -0.639
local terms energy: -300.473359
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -86.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -981.210530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.210530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.210530 (E_RNA)
where:
Base-Base interactions energy: -677.394
where: short stacking energy: -285.168
Base-Backbone interact. energy: -1.729
local terms energy: -302.087436
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -55.746
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -81.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -893.895460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.895460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.895460 (E_RNA)
where:
Base-Base interactions energy: -621.403
where: short stacking energy: -268.994
Base-Backbone interact. energy: -0.929
local terms energy: -271.562865
where:
bonds (distance) C4'-P energy: -49.184
bonds (distance) P-C4' energy: -57.660
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -69.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -683.630177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.630177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.630177 (E_RNA)
where:
Base-Base interactions energy: -475.661
where: short stacking energy: -196.817
Base-Backbone interact. energy: 0.302
local terms energy: -208.270521
where:
bonds (distance) C4'-P energy: -51.201
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -48.402
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -32.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -583.756800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.756800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.756800 (E_RNA)
where:
Base-Base interactions energy: -368.804
where: short stacking energy: -173.531
Base-Backbone interact. energy: 1.657
local terms energy: -216.609437
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -52.707
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -30.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -386.309334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.309334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.309334 (E_RNA)
where:
Base-Base interactions energy: -211.333
where: short stacking energy: -102.254
Base-Backbone interact. energy: 1.401
local terms energy: -176.377331
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -47.107
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1122.440127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.440127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.440127 (E_RNA)
where:
Base-Base interactions energy: -797.959
where: short stacking energy: -338.982
Base-Backbone interact. energy: -0.615
local terms energy: -323.866384
where:
bonds (distance) C4'-P energy: -54.300
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -62.937
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -93.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1069.118721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.118721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.118721 (E_RNA)
where:
Base-Base interactions energy: -727.778
where: short stacking energy: -316.336
Base-Backbone interact. energy: -1.739
local terms energy: -339.602073
where:
bonds (distance) C4'-P energy: -56.695
bonds (distance) P-C4' energy: -66.878
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -51.157
tors. eta vs tors. theta energy: -98.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1058.653441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.653441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.653441 (E_RNA)
where:
Base-Base interactions energy: -747.659
where: short stacking energy: -307.498
Base-Backbone interact. energy: -0.421
local terms energy: -310.573694
where:
bonds (distance) C4'-P energy: -51.685
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -64.659
flat angles P-C4'-P energy: -43.473
tors. eta vs tors. theta energy: -94.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1015.752234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.752234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.752234 (E_RNA)
where:
Base-Base interactions energy: -714.337
where: short stacking energy: -316.324
Base-Backbone interact. energy: -0.793
local terms energy: -300.621852
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -55.547
flat angles C4'-P-C4' energy: -71.621
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -83.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -970.668258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.668258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.668258 (E_RNA)
where:
Base-Base interactions energy: -669.229
where: short stacking energy: -297.195
Base-Backbone interact. energy: 1.788
local terms energy: -303.226773
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -58.973
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: -84.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -959.418007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.418007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.418007 (E_RNA)
where:
Base-Base interactions energy: -642.736
where: short stacking energy: -271.140
Base-Backbone interact. energy: -0.319
local terms energy: -316.362556
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -67.849
flat angles C4'-P-C4' energy: -66.996
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -83.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -840.539727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.539727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.539727 (E_RNA)
where:
Base-Base interactions energy: -573.701
where: short stacking energy: -248.413
Base-Backbone interact. energy: -1.232
local terms energy: -265.607073
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -669.914831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.914831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.914831 (E_RNA)
where:
Base-Base interactions energy: -445.618
where: short stacking energy: -208.912
Base-Backbone interact. energy: -0.888
local terms energy: -223.409085
where:
bonds (distance) C4'-P energy: -51.362
bonds (distance) P-C4' energy: -39.970
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -45.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -589.060880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.060880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.060880 (E_RNA)
where:
Base-Base interactions energy: -376.526
where: short stacking energy: -170.134
Base-Backbone interact. energy: -1.835
local terms energy: -210.700023
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -31.280
tors. eta vs tors. theta energy: -28.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -394.225300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.225300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.225300 (E_RNA)
where:
Base-Base interactions energy: -231.437
where: short stacking energy: -107.876
Base-Backbone interact. energy: 1.688
local terms energy: -164.475908
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1100.176850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.176850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.176850 (E_RNA)
where:
Base-Base interactions energy: -769.333
where: short stacking energy: -318.905
Base-Backbone interact. energy: -1.531
local terms energy: -329.313076
where:
bonds (distance) C4'-P energy: -62.363
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -66.934
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -91.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1072.045758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.045758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.045758 (E_RNA)
where:
Base-Base interactions energy: -739.725
where: short stacking energy: -337.656
Base-Backbone interact. energy: -1.960
local terms energy: -330.360549
where:
bonds (distance) C4'-P energy: -53.878
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -47.590
tors. eta vs tors. theta energy: -95.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1067.471225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.471225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.471225 (E_RNA)
where:
Base-Base interactions energy: -753.243
where: short stacking energy: -329.024
Base-Backbone interact. energy: -2.221
local terms energy: -312.006919
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -59.017
flat angles C4'-P-C4' energy: -73.066
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -97.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1055.435490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.435490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.435490 (E_RNA)
where:
Base-Base interactions energy: -751.224
where: short stacking energy: -334.083
Base-Backbone interact. energy: -1.900
local terms energy: -302.311123
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -66.584
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -84.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -982.232941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.232941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.232941 (E_RNA)
where:
Base-Base interactions energy: -670.448
where: short stacking energy: -299.526
Base-Backbone interact. energy: -1.412
local terms energy: -310.373240
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -65.503
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -87.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -948.126173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.126173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.126173 (E_RNA)
where:
Base-Base interactions energy: -663.952
where: short stacking energy: -286.087
Base-Backbone interact. energy: -1.640
local terms energy: -282.534513
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -43.308
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -78.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -853.789357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.789357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.789357 (E_RNA)
where:
Base-Base interactions energy: -580.396
where: short stacking energy: -255.500
Base-Backbone interact. energy: -2.022
local terms energy: -271.370494
where:
bonds (distance) C4'-P energy: -50.184
bonds (distance) P-C4' energy: -45.239
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -69.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -716.174561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.174561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.174561 (E_RNA)
where:
Base-Base interactions energy: -457.519
where: short stacking energy: -203.449
Base-Backbone interact. energy: -1.164
local terms energy: -257.491215
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -57.033
flat angles C4'-P-C4' energy: -47.969
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -51.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -589.673709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.673709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.673709 (E_RNA)
where:
Base-Base interactions energy: -363.634
where: short stacking energy: -175.434
Base-Backbone interact. energy: -0.642
local terms energy: -225.396967
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -427.786088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.786088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.786088 (E_RNA)
where:
Base-Base interactions energy: -244.151
where: short stacking energy: -128.145
Base-Backbone interact. energy: -0.562
local terms energy: -183.072906
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -56.273
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1122.614483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.614483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.614483 (E_RNA)
where:
Base-Base interactions energy: -789.329
where: short stacking energy: -340.195
Base-Backbone interact. energy: 0.286
local terms energy: -333.571553
where:
bonds (distance) C4'-P energy: -71.072
bonds (distance) P-C4' energy: -57.439
flat angles C4'-P-C4' energy: -69.459
flat angles P-C4'-P energy: -47.358
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1123.651651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.651651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.651651 (E_RNA)
where:
Base-Base interactions energy: -781.378
where: short stacking energy: -340.486
Base-Backbone interact. energy: -1.809
local terms energy: -340.464483
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -63.619
flat angles C4'-P-C4' energy: -71.789
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -101.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1046.289752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.289752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.289752 (E_RNA)
where:
Base-Base interactions energy: -727.221
where: short stacking energy: -309.975
Base-Backbone interact. energy: -0.635
local terms energy: -318.434045
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -76.504
flat angles C4'-P-C4' energy: -66.780
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -87.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1050.695667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.695667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.695667 (E_RNA)
where:
Base-Base interactions energy: -770.817
where: short stacking energy: -326.246
Base-Backbone interact. energy: -1.519
local terms energy: -278.359234
where:
bonds (distance) C4'-P energy: -43.350
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -84.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -975.177052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.177052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.177052 (E_RNA)
where:
Base-Base interactions energy: -686.694
where: short stacking energy: -284.707
Base-Backbone interact. energy: 0.985
local terms energy: -289.468425
where:
bonds (distance) C4'-P energy: -53.714
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -70.551
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -72.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -937.613543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.613543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.613543 (E_RNA)
where:
Base-Base interactions energy: -648.568
where: short stacking energy: -276.480
Base-Backbone interact. energy: -0.738
local terms energy: -288.307682
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -63.195
flat angles P-C4'-P energy: -41.610
tors. eta vs tors. theta energy: -76.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -847.580857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.580857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.580857 (E_RNA)
where:
Base-Base interactions energy: -579.613
where: short stacking energy: -265.212
Base-Backbone interact. energy: 1.412
local terms energy: -269.380174
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -71.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -669.512939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.512939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.512939 (E_RNA)
where:
Base-Base interactions energy: -443.105
where: short stacking energy: -218.431
Base-Backbone interact. energy: 0.423
local terms energy: -226.830775
where:
bonds (distance) C4'-P energy: -41.674
bonds (distance) P-C4' energy: -48.592
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -44.884
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -612.326509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.326509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.326509 (E_RNA)
where:
Base-Base interactions energy: -387.829
where: short stacking energy: -170.584
Base-Backbone interact. energy: -1.510
local terms energy: -222.987410
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -55.144
flat angles C4'-P-C4' energy: -54.277
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -34.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -447.887349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.887349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.887349 (E_RNA)
where:
Base-Base interactions energy: -261.032
where: short stacking energy: -135.257
Base-Backbone interact. energy: 0.893
local terms energy: -187.748355
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -46.210
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1111.025953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.025953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.025953 (E_RNA)
where:
Base-Base interactions energy: -769.977
where: short stacking energy: -321.560
Base-Backbone interact. energy: -0.966
local terms energy: -340.082451
where:
bonds (distance) C4'-P energy: -68.129
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -69.340
flat angles P-C4'-P energy: -48.231
tors. eta vs tors. theta energy: -92.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1100.711735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.711735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.711735 (E_RNA)
where:
Base-Base interactions energy: -772.780
where: short stacking energy: -315.166
Base-Backbone interact. energy: -1.101
local terms energy: -326.830559
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -57.127
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -52.535
tors. eta vs tors. theta energy: -95.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1073.949251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.949251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.949251 (E_RNA)
where:
Base-Base interactions energy: -755.881
where: short stacking energy: -326.995
Base-Backbone interact. energy: -0.919
local terms energy: -317.149468
where:
bonds (distance) C4'-P energy: -60.815
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -68.216
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -85.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1034.260031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.260031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.260031 (E_RNA)
where:
Base-Base interactions energy: -735.195
where: short stacking energy: -316.047
Base-Backbone interact. energy: -0.277
local terms energy: -298.788403
where:
bonds (distance) C4'-P energy: -48.547
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: -91.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -969.183034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.183034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.183034 (E_RNA)
where:
Base-Base interactions energy: -671.615
where: short stacking energy: -292.424
Base-Backbone interact. energy: -0.698
local terms energy: -296.869899
where:
bonds (distance) C4'-P energy: -64.833
bonds (distance) P-C4' energy: -50.531
flat angles C4'-P-C4' energy: -62.593
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -75.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -906.635632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.635632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.635632 (E_RNA)
where:
Base-Base interactions energy: -639.364
where: short stacking energy: -267.228
Base-Backbone interact. energy: -0.776
local terms energy: -266.496208
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -53.953
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -64.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -855.395648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.395648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.395648 (E_RNA)
where:
Base-Base interactions energy: -591.243
where: short stacking energy: -259.599
Base-Backbone interact. energy: -0.496
local terms energy: -263.656536
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -52.582
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -61.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -639.712262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.712262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.712262 (E_RNA)
where:
Base-Base interactions energy: -424.857
where: short stacking energy: -194.925
Base-Backbone interact. energy: 4.528
local terms energy: -219.383788
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -39.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -612.398459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.398459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.398459 (E_RNA)
where:
Base-Base interactions energy: -393.287
where: short stacking energy: -178.807
Base-Backbone interact. energy: -0.575
local terms energy: -218.535702
where:
bonds (distance) C4'-P energy: -53.845
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -47.597
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -34.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -420.778520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.778520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.778520 (E_RNA)
where:
Base-Base interactions energy: -236.077
where: short stacking energy: -131.727
Base-Backbone interact. energy: 1.778
local terms energy: -186.479087
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -40.549
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1123.654699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.654699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.654699 (E_RNA)
where:
Base-Base interactions energy: -792.570
where: short stacking energy: -332.018
Base-Backbone interact. energy: 0.212
local terms energy: -331.296900
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -94.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1121.445299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.445299 (E_RNA)
where:
Base-Base interactions energy: -776.956
where: short stacking energy: -327.992
Base-Backbone interact. energy: -1.085
local terms energy: -343.404400
where:
bonds (distance) C4'-P energy: -58.767
bonds (distance) P-C4' energy: -62.190
flat angles C4'-P-C4' energy: -70.211
flat angles P-C4'-P energy: -51.617
tors. eta vs tors. theta energy: -100.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1056.484369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.484369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.484369 (E_RNA)
where:
Base-Base interactions energy: -748.351
where: short stacking energy: -313.605
Base-Backbone interact. energy: -0.294
local terms energy: -307.839287
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -71.427
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -81.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -993.970739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.970739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.970739 (E_RNA)
where:
Base-Base interactions energy: -678.651
where: short stacking energy: -286.423
Base-Backbone interact. energy: 3.200
local terms energy: -318.519427
where:
bonds (distance) C4'-P energy: -60.676
bonds (distance) P-C4' energy: -62.813
flat angles C4'-P-C4' energy: -63.046
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -83.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1036.739933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.739933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.739933 (E_RNA)
where:
Base-Base interactions energy: -716.356
where: short stacking energy: -330.100
Base-Backbone interact. energy: 0.294
local terms energy: -320.677756
where:
bonds (distance) C4'-P energy: -56.157
bonds (distance) P-C4' energy: -59.839
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -51.100
tors. eta vs tors. theta energy: -94.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -922.017617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.017617 (E_RNA)
where:
Base-Base interactions energy: -630.485
where: short stacking energy: -257.177
Base-Backbone interact. energy: -1.002
local terms energy: -290.530990
where:
bonds (distance) C4'-P energy: -63.517
bonds (distance) P-C4' energy: -62.120
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -73.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -874.114086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.114086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.114086 (E_RNA)
where:
Base-Base interactions energy: -580.794
where: short stacking energy: -253.928
Base-Backbone interact. energy: -1.065
local terms energy: -292.255058
where:
bonds (distance) C4'-P energy: -58.410
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: -73.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -710.661489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.661489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.661489 (E_RNA)
where:
Base-Base interactions energy: -485.911
where: short stacking energy: -231.058
Base-Backbone interact. energy: -0.105
local terms energy: -224.645854
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -52.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -631.112644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.112644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.112644 (E_RNA)
where:
Base-Base interactions energy: -422.645
where: short stacking energy: -206.225
Base-Backbone interact. energy: -0.013
local terms energy: -208.455531
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -39.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -417.072653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.072653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.072653 (E_RNA)
where:
Base-Base interactions energy: -238.989
where: short stacking energy: -119.833
Base-Backbone interact. energy: 0.013
local terms energy: -178.096422
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -54.420
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1106.524985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.524985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.524985 (E_RNA)
where:
Base-Base interactions energy: -782.903
where: short stacking energy: -330.721
Base-Backbone interact. energy: -1.768
local terms energy: -321.854136
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -57.684
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: -92.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1101.895682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.895682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.895682 (E_RNA)
where:
Base-Base interactions energy: -776.063
where: short stacking energy: -336.682
Base-Backbone interact. energy: -0.342
local terms energy: -325.490776
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -77.747
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -99.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1077.728503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.728503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.728503 (E_RNA)
where:
Base-Base interactions energy: -749.609
where: short stacking energy: -319.597
Base-Backbone interact. energy: -1.798
local terms energy: -326.321367
where:
bonds (distance) C4'-P energy: -62.189
bonds (distance) P-C4' energy: -60.254
flat angles C4'-P-C4' energy: -73.970
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -83.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -996.893821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.893821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.893821 (E_RNA)
where:
Base-Base interactions energy: -693.612
where: short stacking energy: -295.125
Base-Backbone interact. energy: -0.753
local terms energy: -302.529331
where:
bonds (distance) C4'-P energy: -58.753
bonds (distance) P-C4' energy: -57.679
flat angles C4'-P-C4' energy: -60.321
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -83.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1012.999286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.999286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.999286 (E_RNA)
where:
Base-Base interactions energy: -708.689
where: short stacking energy: -308.534
Base-Backbone interact. energy: -1.112
local terms energy: -303.198642
where:
bonds (distance) C4'-P energy: -57.472
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -62.397
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -946.314536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.314536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.314536 (E_RNA)
where:
Base-Base interactions energy: -665.464
where: short stacking energy: -285.308
Base-Backbone interact. energy: 1.089
local terms energy: -281.939978
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: -82.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -847.563559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.563559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.563559 (E_RNA)
where:
Base-Base interactions energy: -581.738
where: short stacking energy: -231.785
Base-Backbone interact. energy: 1.614
local terms energy: -267.439881
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -73.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -683.760688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.760688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.760688 (E_RNA)
where:
Base-Base interactions energy: -446.166
where: short stacking energy: -206.811
Base-Backbone interact. energy: -0.116
local terms energy: -237.478466
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -57.633
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -46.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -629.468538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.468538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.468538 (E_RNA)
where:
Base-Base interactions energy: -421.443
where: short stacking energy: -194.301
Base-Backbone interact. energy: -2.016
local terms energy: -206.009700
where:
bonds (distance) C4'-P energy: -45.149
bonds (distance) P-C4' energy: -53.719
flat angles C4'-P-C4' energy: -47.237
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -445.273675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.273675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.273675 (E_RNA)
where:
Base-Base interactions energy: -247.923
where: short stacking energy: -127.150
Base-Backbone interact. energy: -0.614
local terms energy: -196.736812
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1127.523390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.523390 (E_RNA)
where:
Base-Base interactions energy: -801.699
where: short stacking energy: -341.668
Base-Backbone interact. energy: -0.830
local terms energy: -324.994617
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -74.163
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -91.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1111.055922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.055922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.055922 (E_RNA)
where:
Base-Base interactions energy: -773.359
where: short stacking energy: -334.424
Base-Backbone interact. energy: -2.602
local terms energy: -335.094353
where:
bonds (distance) C4'-P energy: -63.279
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -60.836
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -103.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1060.989639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.989639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.989639 (E_RNA)
where:
Base-Base interactions energy: -762.642
where: short stacking energy: -329.353
Base-Backbone interact. energy: -1.214
local terms energy: -297.133186
where:
bonds (distance) C4'-P energy: -46.845
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -69.431
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -86.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1023.821136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.821136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.821136 (E_RNA)
where:
Base-Base interactions energy: -727.913
where: short stacking energy: -308.989
Base-Backbone interact. energy: 1.337
local terms energy: -297.245419
where:
bonds (distance) C4'-P energy: -49.871
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -86.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -964.509347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.509347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.509347 (E_RNA)
where:
Base-Base interactions energy: -664.885
where: short stacking energy: -277.941
Base-Backbone interact. energy: -2.077
local terms energy: -297.547646
where:
bonds (distance) C4'-P energy: -60.484
bonds (distance) P-C4' energy: -58.769
flat angles C4'-P-C4' energy: -61.741
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -75.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -941.753558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.753558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.753558 (E_RNA)
where:
Base-Base interactions energy: -651.528
where: short stacking energy: -282.593
Base-Backbone interact. energy: -3.043
local terms energy: -287.183016
where:
bonds (distance) C4'-P energy: -62.871
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -34.696
tors. eta vs tors. theta energy: -81.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -855.331171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.331171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.331171 (E_RNA)
where:
Base-Base interactions energy: -572.201
where: short stacking energy: -250.898
Base-Backbone interact. energy: -0.488
local terms energy: -282.641828
where:
bonds (distance) C4'-P energy: -56.556
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -61.713
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -64.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -682.121709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.121709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.121709 (E_RNA)
where:
Base-Base interactions energy: -470.525
where: short stacking energy: -205.643
Base-Backbone interact. energy: 3.375
local terms energy: -214.971575
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -51.046
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: -40.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -620.522595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.522595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.522595 (E_RNA)
where:
Base-Base interactions energy: -398.565
where: short stacking energy: -189.645
Base-Backbone interact. energy: -0.817
local terms energy: -221.139930
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -55.814
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -43.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -380.233874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.233874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.233874 (E_RNA)
where:
Base-Base interactions energy: -212.226
where: short stacking energy: -112.735
Base-Backbone interact. energy: 2.024
local terms energy: -170.031424
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -19.392
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1124.788469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.788469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.788469 (E_RNA)
where:
Base-Base interactions energy: -791.459
where: short stacking energy: -327.704
Base-Backbone interact. energy: -1.139
local terms energy: -332.190165
where:
bonds (distance) C4'-P energy: -53.341
bonds (distance) P-C4' energy: -57.826
flat angles C4'-P-C4' energy: -68.912
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: -103.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1106.380160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.380160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.380160 (E_RNA)
where:
Base-Base interactions energy: -784.299
where: short stacking energy: -323.923
Base-Backbone interact. energy: 0.908
local terms energy: -322.988692
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -71.489
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -89.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1087.867591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.867591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.867591 (E_RNA)
where:
Base-Base interactions energy: -753.385
where: short stacking energy: -335.118
Base-Backbone interact. energy: -1.172
local terms energy: -333.310763
where:
bonds (distance) C4'-P energy: -63.522
bonds (distance) P-C4' energy: -68.641
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -94.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1024.536783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.536783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.536783 (E_RNA)
where:
Base-Base interactions energy: -710.168
where: short stacking energy: -307.054
Base-Backbone interact. energy: -0.409
local terms energy: -313.960080
where:
bonds (distance) C4'-P energy: -56.559
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -91.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -988.519664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.519664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.519664 (E_RNA)
where:
Base-Base interactions energy: -674.920
where: short stacking energy: -287.896
Base-Backbone interact. energy: -0.972
local terms energy: -312.627347
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -64.185
flat angles P-C4'-P energy: -50.044
tors. eta vs tors. theta energy: -74.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -943.502015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.502015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.502015 (E_RNA)
where:
Base-Base interactions energy: -677.015
where: short stacking energy: -281.565
Base-Backbone interact. energy: 2.783
local terms energy: -269.270134
where:
bonds (distance) C4'-P energy: -53.513
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -80.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -845.348561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.348561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.348561 (E_RNA)
where:
Base-Base interactions energy: -581.784
where: short stacking energy: -257.008
Base-Backbone interact. energy: -0.719
local terms energy: -262.845642
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -66.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -688.474367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.474367 (E_RNA)
where:
Base-Base interactions energy: -457.654
where: short stacking energy: -195.922
Base-Backbone interact. energy: -0.606
local terms energy: -230.214667
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -41.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -641.820817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.820817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.820817 (E_RNA)
where:
Base-Base interactions energy: -396.468
where: short stacking energy: -185.394
Base-Backbone interact. energy: 1.552
local terms energy: -246.905067
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -60.702
flat angles P-C4'-P energy: -34.237
tors. eta vs tors. theta energy: -45.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -414.807237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.807237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.807237 (E_RNA)
where:
Base-Base interactions energy: -224.502
where: short stacking energy: -121.423
Base-Backbone interact. energy: 0.023
local terms energy: -190.328133
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1161.850880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.850880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.850880 (E_RNA)
where:
Base-Base interactions energy: -828.800
where: short stacking energy: -343.269
Base-Backbone interact. energy: -1.194
local terms energy: -331.857104
where:
bonds (distance) C4'-P energy: -58.677
bonds (distance) P-C4' energy: -55.801
flat angles C4'-P-C4' energy: -68.865
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -101.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1096.846337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.846337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.846337 (E_RNA)
where:
Base-Base interactions energy: -769.310
where: short stacking energy: -322.884
Base-Backbone interact. energy: 1.280
local terms energy: -328.815715
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -67.374
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -91.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1047.122451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.122451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.122451 (E_RNA)
where:
Base-Base interactions energy: -735.378
where: short stacking energy: -315.980
Base-Backbone interact. energy: -1.173
local terms energy: -310.571126
where:
bonds (distance) C4'-P energy: -57.635
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -55.198
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -87.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1029.550304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.550304 (E_RNA)
where:
Base-Base interactions energy: -725.019
where: short stacking energy: -301.592
Base-Backbone interact. energy: -1.398
local terms energy: -303.133677
where:
bonds (distance) C4'-P energy: -54.357
bonds (distance) P-C4' energy: -66.490
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -84.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -960.639602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.639602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.639602 (E_RNA)
where:
Base-Base interactions energy: -652.423
where: short stacking energy: -279.109
Base-Backbone interact. energy: -0.548
local terms energy: -307.669137
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -68.123
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -75.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -939.511955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.511955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.511955 (E_RNA)
where:
Base-Base interactions energy: -657.016
where: short stacking energy: -278.024
Base-Backbone interact. energy: -0.039
local terms energy: -282.456184
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -58.600
flat angles P-C4'-P energy: -49.977
tors. eta vs tors. theta energy: -71.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -865.684519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.684519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.684519 (E_RNA)
where:
Base-Base interactions energy: -586.356
where: short stacking energy: -265.591
Base-Backbone interact. energy: -1.302
local terms energy: -278.027061
where:
bonds (distance) C4'-P energy: -38.625
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -61.947
flat angles P-C4'-P energy: -46.548
tors. eta vs tors. theta energy: -78.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -743.378919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.378919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.378919 (E_RNA)
where:
Base-Base interactions energy: -495.107
where: short stacking energy: -221.125
Base-Backbone interact. energy: -0.444
local terms energy: -247.828556
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -56.884
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -654.429608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.429608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.429608 (E_RNA)
where:
Base-Base interactions energy: -436.392
where: short stacking energy: -202.386
Base-Backbone interact. energy: -0.915
local terms energy: -217.123055
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -46.376
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -38.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -418.534672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.534672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.534672 (E_RNA)
where:
Base-Base interactions energy: -234.718
where: short stacking energy: -118.522
Base-Backbone interact. energy: -0.805
local terms energy: -183.012359
where:
bonds (distance) C4'-P energy: -62.087
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1143.416768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.416768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.416768 (E_RNA)
where:
Base-Base interactions energy: -819.702
where: short stacking energy: -345.794
Base-Backbone interact. energy: -1.019
local terms energy: -322.696109
where:
bonds (distance) C4'-P energy: -60.473
bonds (distance) P-C4' energy: -57.589
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -98.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1099.406927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.406927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.406927 (E_RNA)
where:
Base-Base interactions energy: -780.049
where: short stacking energy: -326.968
Base-Backbone interact. energy: 0.574
local terms energy: -319.931221
where:
bonds (distance) C4'-P energy: -55.138
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -65.184
flat angles P-C4'-P energy: -41.274
tors. eta vs tors. theta energy: -94.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1058.507814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.507814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.507814 (E_RNA)
where:
Base-Base interactions energy: -744.328
where: short stacking energy: -329.760
Base-Backbone interact. energy: -0.381
local terms energy: -313.799392
where:
bonds (distance) C4'-P energy: -63.028
bonds (distance) P-C4' energy: -57.543
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -94.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1029.273594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.273594 (E_RNA)
where:
Base-Base interactions energy: -717.161
where: short stacking energy: -300.478
Base-Backbone interact. energy: -1.454
local terms energy: -310.658256
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -59.616
flat angles C4'-P-C4' energy: -68.556
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -77.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -963.579194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.579194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.579194 (E_RNA)
where:
Base-Base interactions energy: -667.709
where: short stacking energy: -269.906
Base-Backbone interact. energy: -0.375
local terms energy: -295.496012
where:
bonds (distance) C4'-P energy: -58.681
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -63.439
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -77.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -954.274393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.274393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.274393 (E_RNA)
where:
Base-Base interactions energy: -668.296
where: short stacking energy: -269.805
Base-Backbone interact. energy: -0.289
local terms energy: -285.689755
where:
bonds (distance) C4'-P energy: -59.966
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -72.209
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -76.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -870.707709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.707709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.707709 (E_RNA)
where:
Base-Base interactions energy: -587.152
where: short stacking energy: -263.541
Base-Backbone interact. energy: -1.540
local terms energy: -282.016233
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -60.610
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -73.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -735.987074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.987074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.987074 (E_RNA)
where:
Base-Base interactions energy: -506.257
where: short stacking energy: -229.206
Base-Backbone interact. energy: 0.898
local terms energy: -230.627769
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -56.596
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -56.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -660.617772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.617772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.617772 (E_RNA)
where:
Base-Base interactions energy: -415.226
where: short stacking energy: -193.413
Base-Backbone interact. energy: 2.135
local terms energy: -247.526434
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -42.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -435.033496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.033496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.033496 (E_RNA)
where:
Base-Base interactions energy: -230.038
where: short stacking energy: -151.115
Base-Backbone interact. energy: 0.873
local terms energy: -205.868757
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1143.873960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.873960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.873960 (E_RNA)
where:
Base-Base interactions energy: -804.857
where: short stacking energy: -338.871
Base-Backbone interact. energy: -4.084
local terms energy: -334.932820
where:
bonds (distance) C4'-P energy: -59.839
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -67.835
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -104.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1068.621779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.621779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.621779 (E_RNA)
where:
Base-Base interactions energy: -739.322
where: short stacking energy: -319.199
Base-Backbone interact. energy: -0.861
local terms energy: -328.438566
where:
bonds (distance) C4'-P energy: -60.741
bonds (distance) P-C4' energy: -59.918
flat angles C4'-P-C4' energy: -66.573
flat angles P-C4'-P energy: -47.653
tors. eta vs tors. theta energy: -93.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1087.125201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.125201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.125201 (E_RNA)
where:
Base-Base interactions energy: -762.718
where: short stacking energy: -311.193
Base-Backbone interact. energy: -2.745
local terms energy: -321.662321
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -87.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1017.353576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.353576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.353576 (E_RNA)
where:
Base-Base interactions energy: -704.333
where: short stacking energy: -296.132
Base-Backbone interact. energy: 0.103
local terms energy: -313.123307
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -59.106
flat angles C4'-P-C4' energy: -66.731
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -85.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -983.874224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.874224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.874224 (E_RNA)
where:
Base-Base interactions energy: -682.884
where: short stacking energy: -298.346
Base-Backbone interact. energy: -1.347
local terms energy: -299.643616
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -58.065
flat angles C4'-P-C4' energy: -68.601
flat angles P-C4'-P energy: -40.802
tors. eta vs tors. theta energy: -77.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -954.328713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.328713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.328713 (E_RNA)
where:
Base-Base interactions energy: -670.334
where: short stacking energy: -281.185
Base-Backbone interact. energy: 0.341
local terms energy: -284.335024
where:
bonds (distance) C4'-P energy: -46.682
bonds (distance) P-C4' energy: -54.764
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -893.523235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.523235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.523235 (E_RNA)
where:
Base-Base interactions energy: -598.596
where: short stacking energy: -245.731
Base-Backbone interact. energy: -1.464
local terms energy: -293.462657
where:
bonds (distance) C4'-P energy: -52.385
bonds (distance) P-C4' energy: -61.261
flat angles C4'-P-C4' energy: -62.332
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -73.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -736.263419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.263419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.263419 (E_RNA)
where:
Base-Base interactions energy: -490.266
where: short stacking energy: -212.338
Base-Backbone interact. energy: -1.840
local terms energy: -244.158046
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -50.579
flat angles C4'-P-C4' energy: -52.541
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -52.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -665.264280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.264280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.264280 (E_RNA)
where:
Base-Base interactions energy: -419.296
where: short stacking energy: -201.352
Base-Backbone interact. energy: -0.809
local terms energy: -245.159711
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -59.766
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -43.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -418.771349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.771349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.771349 (E_RNA)
where:
Base-Base interactions energy: -236.234
where: short stacking energy: -123.497
Base-Backbone interact. energy: 0.304
local terms energy: -182.841138
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -54.364
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1149.436841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.436841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.436841 (E_RNA)
where:
Base-Base interactions energy: -817.937
where: short stacking energy: -346.507
Base-Backbone interact. energy: -0.773
local terms energy: -330.726741
where:
bonds (distance) C4'-P energy: -55.196
bonds (distance) P-C4' energy: -63.521
flat angles C4'-P-C4' energy: -68.791
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -97.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1078.569675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.569675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.569675 (E_RNA)
where:
Base-Base interactions energy: -757.378
where: short stacking energy: -334.642
Base-Backbone interact. energy: -0.856
local terms energy: -320.335544
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -58.622
flat angles C4'-P-C4' energy: -67.684
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -98.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1026.887972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.887972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.887972 (E_RNA)
where:
Base-Base interactions energy: -701.096
where: short stacking energy: -309.890
Base-Backbone interact. energy: -0.015
local terms energy: -325.777651
where:
bonds (distance) C4'-P energy: -55.621
bonds (distance) P-C4' energy: -68.795
flat angles C4'-P-C4' energy: -64.074
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -89.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1045.636069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.636069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.636069 (E_RNA)
where:
Base-Base interactions energy: -760.451
where: short stacking energy: -308.811
Base-Backbone interact. energy: 0.028
local terms energy: -285.213608
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -50.836
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -86.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -988.919083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.919083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.919083 (E_RNA)
where:
Base-Base interactions energy: -691.069
where: short stacking energy: -310.264
Base-Backbone interact. energy: -2.428
local terms energy: -295.421347
where:
bonds (distance) C4'-P energy: -58.681
bonds (distance) P-C4' energy: -55.789
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -34.079
tors. eta vs tors. theta energy: -83.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -965.521120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.521120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.521120 (E_RNA)
where:
Base-Base interactions energy: -663.114
where: short stacking energy: -272.931
Base-Backbone interact. energy: -0.892
local terms energy: -301.515174
where:
bonds (distance) C4'-P energy: -65.426
bonds (distance) P-C4' energy: -57.204
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -44.227
tors. eta vs tors. theta energy: -73.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -865.347338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.347338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.347338 (E_RNA)
where:
Base-Base interactions energy: -619.049
where: short stacking energy: -266.427
Base-Backbone interact. energy: -1.278
local terms energy: -245.020273
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -71.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -748.670261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.670261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.670261 (E_RNA)
where:
Base-Base interactions energy: -505.055
where: short stacking energy: -225.622
Base-Backbone interact. energy: 0.960
local terms energy: -244.575534
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -45.651
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -56.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -689.037062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.037062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.037062 (E_RNA)
where:
Base-Base interactions energy: -441.168
where: short stacking energy: -215.075
Base-Backbone interact. energy: -0.150
local terms energy: -247.718954
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -59.585
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -54.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -405.676093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.676093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.676093 (E_RNA)
where:
Base-Base interactions energy: -222.920
where: short stacking energy: -116.001
Base-Backbone interact. energy: -2.655
local terms energy: -180.100637
where:
bonds (distance) C4'-P energy: -35.842
bonds (distance) P-C4' energy: -60.800
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1137.650060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.650060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.650060 (E_RNA)
where:
Base-Base interactions energy: -803.581
where: short stacking energy: -348.252
Base-Backbone interact. energy: -0.960
local terms energy: -333.108873
where:
bonds (distance) C4'-P energy: -65.278
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -66.871
flat angles P-C4'-P energy: -50.000
tors. eta vs tors. theta energy: -99.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1082.348629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.348629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.348629 (E_RNA)
where:
Base-Base interactions energy: -762.406
where: short stacking energy: -330.067
Base-Backbone interact. energy: -1.286
local terms energy: -318.656497
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -59.971
flat angles C4'-P-C4' energy: -71.346
flat angles P-C4'-P energy: -42.933
tors. eta vs tors. theta energy: -87.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1012.154403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.154403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.154403 (E_RNA)
where:
Base-Base interactions energy: -696.789
where: short stacking energy: -310.964
Base-Backbone interact. energy: -0.105
local terms energy: -315.260372
where:
bonds (distance) C4'-P energy: -57.074
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -69.249
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -86.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1036.558959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.558959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.558959 (E_RNA)
where:
Base-Base interactions energy: -762.731
where: short stacking energy: -315.648
Base-Backbone interact. energy: -1.055
local terms energy: -272.772908
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -78.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -976.726062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.726062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.726062 (E_RNA)
where:
Base-Base interactions energy: -682.535
where: short stacking energy: -279.569
Base-Backbone interact. energy: -0.536
local terms energy: -293.654915
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -59.015
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -79.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -947.864945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.864945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.864945 (E_RNA)
where:
Base-Base interactions energy: -647.609
where: short stacking energy: -288.766
Base-Backbone interact. energy: -0.803
local terms energy: -299.452099
where:
bonds (distance) C4'-P energy: -59.087
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -79.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -887.857778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.857778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.857778 (E_RNA)
where:
Base-Base interactions energy: -587.383
where: short stacking energy: -264.847
Base-Backbone interact. energy: -3.120
local terms energy: -297.354687
where:
bonds (distance) C4'-P energy: -62.379
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -67.135
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -69.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -760.193930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.193930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.193930 (E_RNA)
where:
Base-Base interactions energy: -503.725
where: short stacking energy: -235.245
Base-Backbone interact. energy: -0.812
local terms energy: -255.657247
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -54.770
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -54.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -687.046890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.046890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.046890 (E_RNA)
where:
Base-Base interactions energy: -454.778
where: short stacking energy: -225.270
Base-Backbone interact. energy: 1.126
local terms energy: -233.394623
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -44.422
flat angles C4'-P-C4' energy: -57.212
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -405.165532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.165532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.165532 (E_RNA)
where:
Base-Base interactions energy: -216.749
where: short stacking energy: -128.976
Base-Backbone interact. energy: 0.165
local terms energy: -188.581480
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -45.440
flat angles C4'-P-C4' energy: -51.572
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1142.962128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.962128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.962128 (E_RNA)
where:
Base-Base interactions energy: -816.222
where: short stacking energy: -347.899
Base-Backbone interact. energy: -1.684
local terms energy: -325.056307
where:
bonds (distance) C4'-P energy: -60.758
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: -99.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1062.279746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.279746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.279746 (E_RNA)
where:
Base-Base interactions energy: -736.270
where: short stacking energy: -311.159
Base-Backbone interact. energy: 0.664
local terms energy: -326.673513
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -60.864
flat angles C4'-P-C4' energy: -75.529
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -95.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1077.407414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.407414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.407414 (E_RNA)
where:
Base-Base interactions energy: -757.576
where: short stacking energy: -312.417
Base-Backbone interact. energy: -0.335
local terms energy: -319.496201
where:
bonds (distance) C4'-P energy: -66.980
bonds (distance) P-C4' energy: -66.310
flat angles C4'-P-C4' energy: -61.668
flat angles P-C4'-P energy: -39.595
tors. eta vs tors. theta energy: -84.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1001.225139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.225139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.225139 (E_RNA)
where:
Base-Base interactions energy: -708.038
where: short stacking energy: -296.737
Base-Backbone interact. energy: -0.784
local terms energy: -292.402770
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -84.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -953.015841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.015841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.015841 (E_RNA)
where:
Base-Base interactions energy: -675.695
where: short stacking energy: -289.989
Base-Backbone interact. energy: -1.081
local terms energy: -276.240601
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -58.948
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -80.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -942.572634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.572634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.572634 (E_RNA)
where:
Base-Base interactions energy: -660.593
where: short stacking energy: -281.596
Base-Backbone interact. energy: -0.479
local terms energy: -281.501100
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -76.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -903.478286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.478286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.478286 (E_RNA)
where:
Base-Base interactions energy: -624.614
where: short stacking energy: -277.816
Base-Backbone interact. energy: 0.227
local terms energy: -279.091368
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -71.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -774.340939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.340939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.340939 (E_RNA)
where:
Base-Base interactions energy: -513.756
where: short stacking energy: -248.156
Base-Backbone interact. energy: -0.884
local terms energy: -259.700316
where:
bonds (distance) C4'-P energy: -62.777
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -61.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -695.524647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.524647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.524647 (E_RNA)
where:
Base-Base interactions energy: -471.768
where: short stacking energy: -213.446
Base-Backbone interact. energy: 1.137
local terms energy: -224.893390
where:
bonds (distance) C4'-P energy: -38.514
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -440.872098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.872098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.872098 (E_RNA)
where:
Base-Base interactions energy: -247.746
where: short stacking energy: -125.609
Base-Backbone interact. energy: 3.023
local terms energy: -196.148951
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -43.021
flat angles C4'-P-C4' energy: -51.895
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1131.795469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.795469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.795469 (E_RNA)
where:
Base-Base interactions energy: -797.354
where: short stacking energy: -334.232
Base-Backbone interact. energy: -0.939
local terms energy: -333.502207
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -62.204
flat angles C4'-P-C4' energy: -68.845
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -97.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1062.598265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.598265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.598265 (E_RNA)
where:
Base-Base interactions energy: -755.232
where: short stacking energy: -327.030
Base-Backbone interact. energy: -1.089
local terms energy: -306.277435
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -94.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1067.865632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.865632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.865632 (E_RNA)
where:
Base-Base interactions energy: -767.329
where: short stacking energy: -323.635
Base-Backbone interact. energy: -1.324
local terms energy: -299.212834
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -61.770
flat angles C4'-P-C4' energy: -57.486
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -84.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1002.442696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.442696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.442696 (E_RNA)
where:
Base-Base interactions energy: -704.875
where: short stacking energy: -306.163
Base-Backbone interact. energy: -1.696
local terms energy: -295.870965
where:
bonds (distance) C4'-P energy: -55.544
bonds (distance) P-C4' energy: -46.101
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -75.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -977.428628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.428628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.428628 (E_RNA)
where:
Base-Base interactions energy: -669.758
where: short stacking energy: -279.234
Base-Backbone interact. energy: -0.795
local terms energy: -306.875809
where:
bonds (distance) C4'-P energy: -66.240
bonds (distance) P-C4' energy: -53.230
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -74.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -900.784330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.784330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.784330 (E_RNA)
where:
Base-Base interactions energy: -620.100
where: short stacking energy: -279.256
Base-Backbone interact. energy: -0.806
local terms energy: -279.878295
where:
bonds (distance) C4'-P energy: -54.971
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -37.878
tors. eta vs tors. theta energy: -78.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -945.197705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.197705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.197705 (E_RNA)
where:
Base-Base interactions energy: -664.104
where: short stacking energy: -290.493
Base-Backbone interact. energy: -0.273
local terms energy: -280.820664
where:
bonds (distance) C4'-P energy: -44.533
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -67.635
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -80.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -767.065782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.065782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.065782 (E_RNA)
where:
Base-Base interactions energy: -508.678
where: short stacking energy: -236.298
Base-Backbone interact. energy: -1.287
local terms energy: -257.100866
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -52.805
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -64.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -743.668730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.668730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.668730 (E_RNA)
where:
Base-Base interactions energy: -487.739
where: short stacking energy: -216.726
Base-Backbone interact. energy: 0.491
local terms energy: -256.421054
where:
bonds (distance) C4'-P energy: -47.796
bonds (distance) P-C4' energy: -53.341
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -61.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -425.783067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.783067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.783067 (E_RNA)
where:
Base-Base interactions energy: -236.207
where: short stacking energy: -129.264
Base-Backbone interact. energy: -0.595
local terms energy: -188.981739
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1124.793912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.793912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.793912 (E_RNA)
where:
Base-Base interactions energy: -801.122
where: short stacking energy: -336.599
Base-Backbone interact. energy: 1.212
local terms energy: -324.883751
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -65.869
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -98.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1086.742798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.742798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.742798 (E_RNA)
where:
Base-Base interactions energy: -754.260
where: short stacking energy: -324.025
Base-Backbone interact. energy: -3.037
local terms energy: -329.446194
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -68.012
flat angles P-C4'-P energy: -46.350
tors. eta vs tors. theta energy: -91.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1058.534164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.534164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.534164 (E_RNA)
where:
Base-Base interactions energy: -754.456
where: short stacking energy: -300.866
Base-Backbone interact. energy: 0.587
local terms energy: -304.665899
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -68.102
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -81.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -994.292489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.292489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.292489 (E_RNA)
where:
Base-Base interactions energy: -698.505
where: short stacking energy: -306.406
Base-Backbone interact. energy: -0.503
local terms energy: -295.284526
where:
bonds (distance) C4'-P energy: -46.422
bonds (distance) P-C4' energy: -56.128
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -76.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -957.067800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.067800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.067800 (E_RNA)
where:
Base-Base interactions energy: -670.804
where: short stacking energy: -294.749
Base-Backbone interact. energy: -2.592
local terms energy: -283.671173
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -85.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -908.794827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.794827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.794827 (E_RNA)
where:
Base-Base interactions energy: -609.983
where: short stacking energy: -273.570
Base-Backbone interact. energy: -0.168
local terms energy: -298.644329
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -57.235
flat angles C4'-P-C4' energy: -74.159
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -77.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -917.251956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.251956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.251956 (E_RNA)
where:
Base-Base interactions energy: -641.457
where: short stacking energy: -273.065
Base-Backbone interact. energy: -0.556
local terms energy: -275.238803
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -59.079
flat angles C4'-P-C4' energy: -62.536
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -73.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -749.915027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.915027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.915027 (E_RNA)
where:
Base-Base interactions energy: -508.578
where: short stacking energy: -243.437
Base-Backbone interact. energy: -0.950
local terms energy: -240.387040
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -57.572
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -57.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -726.414620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.414620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.414620 (E_RNA)
where:
Base-Base interactions energy: -485.035
where: short stacking energy: -236.724
Base-Backbone interact. energy: -1.017
local terms energy: -240.362243
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -58.592
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -56.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -429.700512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.700512 (E_RNA)
where:
Base-Base interactions energy: -233.179
where: short stacking energy: -112.574
Base-Backbone interact. energy: -0.993
local terms energy: -195.528455
where:
bonds (distance) C4'-P energy: -53.557
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -33.581
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1136.580813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.580813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.580813 (E_RNA)
where:
Base-Base interactions energy: -802.518
where: short stacking energy: -334.976
Base-Backbone interact. energy: -1.324
local terms energy: -332.738909
where:
bonds (distance) C4'-P energy: -59.447
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -69.126
flat angles P-C4'-P energy: -47.541
tors. eta vs tors. theta energy: -96.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1078.434850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.434850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.434850 (E_RNA)
where:
Base-Base interactions energy: -773.899
where: short stacking energy: -323.214
Base-Backbone interact. energy: 1.196
local terms energy: -305.732578
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -53.938
flat angles C4'-P-C4' energy: -67.873
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -85.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1046.999806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.999806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.999806 (E_RNA)
where:
Base-Base interactions energy: -729.266
where: short stacking energy: -316.857
Base-Backbone interact. energy: -1.789
local terms energy: -315.945686
where:
bonds (distance) C4'-P energy: -61.874
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -88.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -992.713297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.713297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.713297 (E_RNA)
where:
Base-Base interactions energy: -678.846
where: short stacking energy: -279.623
Base-Backbone interact. energy: 0.191
local terms energy: -314.057696
where:
bonds (distance) C4'-P energy: -57.008
bonds (distance) P-C4' energy: -62.540
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -74.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -955.677680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.677680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.677680 (E_RNA)
where:
Base-Base interactions energy: -652.435
where: short stacking energy: -281.947
Base-Backbone interact. energy: -0.797
local terms energy: -302.445516
where:
bonds (distance) C4'-P energy: -55.120
bonds (distance) P-C4' energy: -55.169
flat angles C4'-P-C4' energy: -65.517
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -79.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -964.687000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.687000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.687000 (E_RNA)
where:
Base-Base interactions energy: -668.611
where: short stacking energy: -280.092
Base-Backbone interact. energy: 2.708
local terms energy: -298.783909
where:
bonds (distance) C4'-P energy: -51.781
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -59.802
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -85.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -862.887558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.887558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.887558 (E_RNA)
where:
Base-Base interactions energy: -603.453
where: short stacking energy: -259.326
Base-Backbone interact. energy: -0.971
local terms energy: -258.463401
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -75.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -675.553231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.553231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.553231 (E_RNA)
where:
Base-Base interactions energy: -427.671
where: short stacking energy: -201.540
Base-Backbone interact. energy: -0.339
local terms energy: -247.543660
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -41.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -712.254790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.254790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.254790 (E_RNA)
where:
Base-Base interactions energy: -455.226
where: short stacking energy: -202.556
Base-Backbone interact. energy: -1.590
local terms energy: -255.438667
where:
bonds (distance) C4'-P energy: -48.375
bonds (distance) P-C4' energy: -62.024
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -54.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -443.887905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.887905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.887905 (E_RNA)
where:
Base-Base interactions energy: -264.317
where: short stacking energy: -159.299
Base-Backbone interact. energy: -1.603
local terms energy: -177.968356
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -49.014
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1092.438619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.438619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.438619 (E_RNA)
where:
Base-Base interactions energy: -761.722
where: short stacking energy: -336.024
Base-Backbone interact. energy: 0.680
local terms energy: -331.395723
where:
bonds (distance) C4'-P energy: -62.349
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -71.659
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -97.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1094.954322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.954322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.954322 (E_RNA)
where:
Base-Base interactions energy: -772.604
where: short stacking energy: -329.892
Base-Backbone interact. energy: 0.775
local terms energy: -323.125464
where:
bonds (distance) C4'-P energy: -62.696
bonds (distance) P-C4' energy: -54.381
flat angles C4'-P-C4' energy: -67.293
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -95.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1042.032773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.032773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.032773 (E_RNA)
where:
Base-Base interactions energy: -731.491
where: short stacking energy: -317.277
Base-Backbone interact. energy: -0.691
local terms energy: -309.850986
where:
bonds (distance) C4'-P energy: -58.616
bonds (distance) P-C4' energy: -55.349
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: -83.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1008.710757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.710757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.710757 (E_RNA)
where:
Base-Base interactions energy: -694.458
where: short stacking energy: -303.322
Base-Backbone interact. energy: 0.546
local terms energy: -314.798835
where:
bonds (distance) C4'-P energy: -59.810
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -65.505
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -86.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -991.140338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.140338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.140338 (E_RNA)
where:
Base-Base interactions energy: -682.811
where: short stacking energy: -301.390
Base-Backbone interact. energy: -0.821
local terms energy: -307.508404
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -66.266
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -86.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -961.967377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.967377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.967377 (E_RNA)
where:
Base-Base interactions energy: -679.348
where: short stacking energy: -298.611
Base-Backbone interact. energy: 0.681
local terms energy: -283.299996
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -60.229
flat angles C4'-P-C4' energy: -63.797
flat angles P-C4'-P energy: -29.180
tors. eta vs tors. theta energy: -82.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -883.316777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.316777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.316777 (E_RNA)
where:
Base-Base interactions energy: -621.709
where: short stacking energy: -267.293
Base-Backbone interact. energy: 5.436
local terms energy: -267.044483
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -58.450
flat angles C4'-P-C4' energy: -49.988
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -78.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -665.473203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.473203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.473203 (E_RNA)
where:
Base-Base interactions energy: -411.328
where: short stacking energy: -194.100
Base-Backbone interact. energy: -0.923
local terms energy: -253.221881
where:
bonds (distance) C4'-P energy: -59.858
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -47.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -648.126772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.126772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.126772 (E_RNA)
where:
Base-Base interactions energy: -405.189
where: short stacking energy: -179.343
Base-Backbone interact. energy: -1.122
local terms energy: -241.816141
where:
bonds (distance) C4'-P energy: -60.754
bonds (distance) P-C4' energy: -53.950
flat angles C4'-P-C4' energy: -49.323
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -418.239785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.239785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.239785 (E_RNA)
where:
Base-Base interactions energy: -233.704
where: short stacking energy: -125.438
Base-Backbone interact. energy: -2.247
local terms energy: -182.288847
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -59.174
flat angles C4'-P-C4' energy: -48.919
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1076.045583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.045583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.045583 (E_RNA)
where:
Base-Base interactions energy: -748.443
where: short stacking energy: -315.991
Base-Backbone interact. energy: -1.133
local terms energy: -326.469149
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -72.853
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -82.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1121.315068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.315068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.315068 (E_RNA)
where:
Base-Base interactions energy: -774.794
where: short stacking energy: -315.202
Base-Backbone interact. energy: -0.636
local terms energy: -345.884978
where:
bonds (distance) C4'-P energy: -64.063
bonds (distance) P-C4' energy: -67.846
flat angles C4'-P-C4' energy: -65.905
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -102.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1050.959478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.959478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.959478 (E_RNA)
where:
Base-Base interactions energy: -762.450
where: short stacking energy: -310.728
Base-Backbone interact. energy: -2.519
local terms energy: -285.990780
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -48.198
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -32.632
tors. eta vs tors. theta energy: -83.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1024.177162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.177162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.177162 (E_RNA)
where:
Base-Base interactions energy: -717.700
where: short stacking energy: -306.258
Base-Backbone interact. energy: -0.592
local terms energy: -305.885456
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -69.677
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -88.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -977.742446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.742446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.742446 (E_RNA)
where:
Base-Base interactions energy: -671.845
where: short stacking energy: -296.007
Base-Backbone interact. energy: -1.044
local terms energy: -304.853537
where:
bonds (distance) C4'-P energy: -58.398
bonds (distance) P-C4' energy: -59.565
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -81.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -951.986159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.986159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.986159 (E_RNA)
where:
Base-Base interactions energy: -659.850
where: short stacking energy: -284.815
Base-Backbone interact. energy: -1.568
local terms energy: -290.568163
where:
bonds (distance) C4'-P energy: -52.710
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -66.337
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -78.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -873.641364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.641364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.641364 (E_RNA)
where:
Base-Base interactions energy: -604.229
where: short stacking energy: -243.553
Base-Backbone interact. energy: -0.164
local terms energy: -269.247926
where:
bonds (distance) C4'-P energy: -47.764
bonds (distance) P-C4' energy: -52.261
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -71.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -674.677946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.677946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.677946 (E_RNA)
where:
Base-Base interactions energy: -443.657
where: short stacking energy: -199.489
Base-Backbone interact. energy: -1.239
local terms energy: -229.781221
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -45.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -622.057631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.057631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.057631 (E_RNA)
where:
Base-Base interactions energy: -403.211
where: short stacking energy: -205.914
Base-Backbone interact. energy: 1.261
local terms energy: -220.107808
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -50.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -469.987787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.987787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.987787 (E_RNA)
where:
Base-Base interactions energy: -279.445
where: short stacking energy: -158.638
Base-Backbone interact. energy: -0.283
local terms energy: -190.260051
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1147.212891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.212891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.212891 (E_RNA)
where:
Base-Base interactions energy: -806.928
where: short stacking energy: -332.273
Base-Backbone interact. energy: -1.366
local terms energy: -338.918823
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -67.527
flat angles C4'-P-C4' energy: -65.923
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -102.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1048.370766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.370766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.370766 (E_RNA)
where:
Base-Base interactions energy: -725.187
where: short stacking energy: -296.634
Base-Backbone interact. energy: -0.396
local terms energy: -322.788144
where:
bonds (distance) C4'-P energy: -66.531
bonds (distance) P-C4' energy: -61.966
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -81.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1025.684465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.684465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.684465 (E_RNA)
where:
Base-Base interactions energy: -708.205
where: short stacking energy: -300.774
Base-Backbone interact. energy: -0.699
local terms energy: -316.780257
where:
bonds (distance) C4'-P energy: -61.179
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -69.216
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -83.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1042.529505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.529505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.529505 (E_RNA)
where:
Base-Base interactions energy: -746.194
where: short stacking energy: -312.081
Base-Backbone interact. energy: -0.300
local terms energy: -296.035392
where:
bonds (distance) C4'-P energy: -56.706
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -68.970
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -81.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1012.026279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.026279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.026279 (E_RNA)
where:
Base-Base interactions energy: -720.766
where: short stacking energy: -314.753
Base-Backbone interact. energy: 0.167
local terms energy: -291.427426
where:
bonds (distance) C4'-P energy: -45.348
bonds (distance) P-C4' energy: -55.331
flat angles C4'-P-C4' energy: -58.164
flat angles P-C4'-P energy: -42.893
tors. eta vs tors. theta energy: -89.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -960.979776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.979776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.979776 (E_RNA)
where:
Base-Base interactions energy: -672.501
where: short stacking energy: -299.360
Base-Backbone interact. energy: -0.878
local terms energy: -287.600785
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -82.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -860.818776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.818776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.818776 (E_RNA)
where:
Base-Base interactions energy: -582.506
where: short stacking energy: -259.991
Base-Backbone interact. energy: 2.573
local terms energy: -280.885951
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -60.508
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -70.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -701.491680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.491680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.491680 (E_RNA)
where:
Base-Base interactions energy: -457.000
where: short stacking energy: -206.432
Base-Backbone interact. energy: -2.272
local terms energy: -242.219516
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -52.772
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -48.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -668.886643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.886643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.886643 (E_RNA)
where:
Base-Base interactions energy: -416.403
where: short stacking energy: -194.628
Base-Backbone interact. energy: -1.351
local terms energy: -251.133162
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -51.472
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -52.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -448.274378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.274378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.274378 (E_RNA)
where:
Base-Base interactions energy: -268.140
where: short stacking energy: -140.787
Base-Backbone interact. energy: -1.225
local terms energy: -178.908674
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -36.809
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1148.228544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.228544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.228544 (E_RNA)
where:
Base-Base interactions energy: -807.431
where: short stacking energy: -348.425
Base-Backbone interact. energy: -0.430
local terms energy: -340.367361
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -50.276
tors. eta vs tors. theta energy: -102.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1048.639222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.639222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.639222 (E_RNA)
where:
Base-Base interactions energy: -724.152
where: short stacking energy: -315.616
Base-Backbone interact. energy: 4.033
local terms energy: -328.520863
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -55.352
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: -91.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1030.358609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.358609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.358609 (E_RNA)
where:
Base-Base interactions energy: -729.481
where: short stacking energy: -306.314
Base-Backbone interact. energy: -1.258
local terms energy: -299.619328
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -62.324
flat angles C4'-P-C4' energy: -63.783
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -80.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1014.331452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.331452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.331452 (E_RNA)
where:
Base-Base interactions energy: -706.107
where: short stacking energy: -318.030
Base-Backbone interact. energy: -0.708
local terms energy: -307.516732
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -54.565
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1020.677531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.677531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.677531 (E_RNA)
where:
Base-Base interactions energy: -725.926
where: short stacking energy: -300.846
Base-Backbone interact. energy: -1.688
local terms energy: -293.063681
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -84.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -942.101612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.101612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.101612 (E_RNA)
where:
Base-Base interactions energy: -660.894
where: short stacking energy: -271.819
Base-Backbone interact. energy: -1.712
local terms energy: -279.496285
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: -75.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -892.720706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.720706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.720706 (E_RNA)
where:
Base-Base interactions energy: -620.074
where: short stacking energy: -262.947
Base-Backbone interact. energy: -1.615
local terms energy: -271.031870
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -55.296
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -79.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -681.046698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.046698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.046698 (E_RNA)
where:
Base-Base interactions energy: -449.850
where: short stacking energy: -195.102
Base-Backbone interact. energy: -0.219
local terms energy: -230.978192
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -656.183197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.183197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.183197 (E_RNA)
where:
Base-Base interactions energy: -427.201
where: short stacking energy: -194.356
Base-Backbone interact. energy: -1.175
local terms energy: -227.806864
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -32.235
tors. eta vs tors. theta energy: -50.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -437.201287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.201287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.201287 (E_RNA)
where:
Base-Base interactions energy: -233.815
where: short stacking energy: -124.715
Base-Backbone interact. energy: 1.905
local terms energy: -205.291972
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -48.455
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -41.911
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1150.530018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.530018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.530018 (E_RNA)
where:
Base-Base interactions energy: -801.115
where: short stacking energy: -346.693
Base-Backbone interact. energy: -1.586
local terms energy: -347.829449
where:
bonds (distance) C4'-P energy: -55.976
bonds (distance) P-C4' energy: -70.215
flat angles C4'-P-C4' energy: -70.770
flat angles P-C4'-P energy: -46.866
tors. eta vs tors. theta energy: -104.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1045.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.821881 (E_RNA)
where:
Base-Base interactions energy: -730.044
where: short stacking energy: -312.729
Base-Backbone interact. energy: -2.258
local terms energy: -313.519788
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -52.141
flat angles C4'-P-C4' energy: -65.441
flat angles P-C4'-P energy: -53.308
tors. eta vs tors. theta energy: -82.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1031.996510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.996510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.996510 (E_RNA)
where:
Base-Base interactions energy: -723.925
where: short stacking energy: -312.550
Base-Backbone interact. energy: -0.929
local terms energy: -307.142445
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -68.006
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -76.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1039.793848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.793848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.793848 (E_RNA)
where:
Base-Base interactions energy: -707.311
where: short stacking energy: -298.341
Base-Backbone interact. energy: -1.712
local terms energy: -330.769917
where:
bonds (distance) C4'-P energy: -67.505
bonds (distance) P-C4' energy: -63.837
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -49.084
tors. eta vs tors. theta energy: -88.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1044.020958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.020958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.020958 (E_RNA)
where:
Base-Base interactions energy: -742.085
where: short stacking energy: -300.327
Base-Backbone interact. energy: -1.676
local terms energy: -300.260127
where:
bonds (distance) C4'-P energy: -50.329
bonds (distance) P-C4' energy: -56.615
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -45.863
tors. eta vs tors. theta energy: -83.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -936.760090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.760090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.760090 (E_RNA)
where:
Base-Base interactions energy: -645.520
where: short stacking energy: -288.025
Base-Backbone interact. energy: -1.123
local terms energy: -290.116830
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -51.129
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -85.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -864.084071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.084071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.084071 (E_RNA)
where:
Base-Base interactions energy: -590.148
where: short stacking energy: -238.629
Base-Backbone interact. energy: -0.350
local terms energy: -273.585926
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -55.423
flat angles P-C4'-P energy: -36.351
tors. eta vs tors. theta energy: -65.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -712.857374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.857374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.857374 (E_RNA)
where:
Base-Base interactions energy: -468.366
where: short stacking energy: -231.507
Base-Backbone interact. energy: -0.920
local terms energy: -243.570816
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -53.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -721.845329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.845329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.845329 (E_RNA)
where:
Base-Base interactions energy: -483.343
where: short stacking energy: -235.189
Base-Backbone interact. energy: 0.846
local terms energy: -239.348697
where:
bonds (distance) C4'-P energy: -42.320
bonds (distance) P-C4' energy: -50.704
flat angles C4'-P-C4' energy: -62.328
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -56.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -387.051761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.051761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.051761 (E_RNA)
where:
Base-Base interactions energy: -215.114
where: short stacking energy: -99.851
Base-Backbone interact. energy: 2.859
local terms energy: -174.796878
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1153.284141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.284141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.284141 (E_RNA)
where:
Base-Base interactions energy: -811.365
where: short stacking energy: -351.321
Base-Backbone interact. energy: -0.452
local terms energy: -341.466959
where:
bonds (distance) C4'-P energy: -59.601
bonds (distance) P-C4' energy: -63.691
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -102.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1068.461267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.461267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.461267 (E_RNA)
where:
Base-Base interactions energy: -751.138
where: short stacking energy: -320.389
Base-Backbone interact. energy: -0.523
local terms energy: -316.801012
where:
bonds (distance) C4'-P energy: -63.320
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -84.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1047.321386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.321386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.321386 (E_RNA)
where:
Base-Base interactions energy: -741.654
where: short stacking energy: -321.307
Base-Backbone interact. energy: -0.598
local terms energy: -305.069095
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -72.276
flat angles P-C4'-P energy: -44.681
tors. eta vs tors. theta energy: -90.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1081.133222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.133222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.133222 (E_RNA)
where:
Base-Base interactions energy: -764.153
where: short stacking energy: -315.666
Base-Backbone interact. energy: 0.650
local terms energy: -317.631112
where:
bonds (distance) C4'-P energy: -57.228
bonds (distance) P-C4' energy: -57.986
flat angles C4'-P-C4' energy: -65.433
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -89.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1007.061957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.061957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.061957 (E_RNA)
where:
Base-Base interactions energy: -705.385
where: short stacking energy: -301.977
Base-Backbone interact. energy: -0.922
local terms energy: -300.755109
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -56.496
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: -96.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -924.987661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.987661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.987661 (E_RNA)
where:
Base-Base interactions energy: -664.686
where: short stacking energy: -289.744
Base-Backbone interact. energy: -0.130
local terms energy: -260.171835
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -51.294
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -37.455
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -837.225218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.225218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.225218 (E_RNA)
where:
Base-Base interactions energy: -583.835
where: short stacking energy: -256.731
Base-Backbone interact. energy: 1.415
local terms energy: -254.805170
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -65.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -678.979444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.979444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.979444 (E_RNA)
where:
Base-Base interactions energy: -444.444
where: short stacking energy: -201.108
Base-Backbone interact. energy: 0.584
local terms energy: -235.119641
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -51.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -712.193350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.193350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.193350 (E_RNA)
where:
Base-Base interactions energy: -481.285
where: short stacking energy: -201.824
Base-Backbone interact. energy: -0.492
local terms energy: -230.416531
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -49.512
flat angles C4'-P-C4' energy: -56.134
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -50.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -418.957759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.957759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.957759 (E_RNA)
where:
Base-Base interactions energy: -239.916
where: short stacking energy: -113.856
Base-Backbone interact. energy: 0.106
local terms energy: -179.147824
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -54.484
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1154.288669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.288669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.288669 (E_RNA)
where:
Base-Base interactions energy: -814.519
where: short stacking energy: -363.149
Base-Backbone interact. energy: -0.526
local terms energy: -339.242916
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -63.118
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: -106.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1060.077656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.077656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.077656 (E_RNA)
where:
Base-Base interactions energy: -741.386
where: short stacking energy: -313.258
Base-Backbone interact. energy: -0.425
local terms energy: -318.267014
where:
bonds (distance) C4'-P energy: -61.712
bonds (distance) P-C4' energy: -60.320
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -91.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1062.389321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.389321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.389321 (E_RNA)
where:
Base-Base interactions energy: -754.600
where: short stacking energy: -299.329
Base-Backbone interact. energy: -1.661
local terms energy: -306.128362
where:
bonds (distance) C4'-P energy: -59.397
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -49.978
tors. eta vs tors. theta energy: -83.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1017.478960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.478960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.478960 (E_RNA)
where:
Base-Base interactions energy: -709.079
where: short stacking energy: -307.159
Base-Backbone interact. energy: 1.432
local terms energy: -309.831140
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -57.363
flat angles C4'-P-C4' energy: -56.387
flat angles P-C4'-P energy: -47.811
tors. eta vs tors. theta energy: -84.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -968.484566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.484566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.484566 (E_RNA)
where:
Base-Base interactions energy: -683.068
where: short stacking energy: -299.142
Base-Backbone interact. energy: -3.311
local terms energy: -282.105778
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -69.211
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -931.351813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.351813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.351813 (E_RNA)
where:
Base-Base interactions energy: -637.674
where: short stacking energy: -270.320
Base-Backbone interact. energy: -1.333
local terms energy: -292.345360
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -76.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -864.792014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.792014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.792014 (E_RNA)
where:
Base-Base interactions energy: -590.274
where: short stacking energy: -262.038
Base-Backbone interact. energy: -1.988
local terms energy: -272.530671
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -36.484
tors. eta vs tors. theta energy: -72.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -687.634324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.634324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.634324 (E_RNA)
where:
Base-Base interactions energy: -453.596
where: short stacking energy: -211.895
Base-Backbone interact. energy: 1.111
local terms energy: -235.148747
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -51.535
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -53.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -655.108844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.108844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.108844 (E_RNA)
where:
Base-Base interactions energy: -432.408
where: short stacking energy: -185.945
Base-Backbone interact. energy: -0.738
local terms energy: -221.962375
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -443.256658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.256658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.256658 (E_RNA)
where:
Base-Base interactions energy: -260.348
where: short stacking energy: -130.121
Base-Backbone interact. energy: 3.751
local terms energy: -186.660352
where:
bonds (distance) C4'-P energy: -42.159
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -41.263
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1146.621737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.621737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.621737 (E_RNA)
where:
Base-Base interactions energy: -800.623
where: short stacking energy: -339.686
Base-Backbone interact. energy: -0.548
local terms energy: -345.450496
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -66.888
flat angles C4'-P-C4' energy: -74.579
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: -103.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1088.454127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.454127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.454127 (E_RNA)
where:
Base-Base interactions energy: -779.989
where: short stacking energy: -318.905
Base-Backbone interact. energy: 0.921
local terms energy: -309.386027
where:
bonds (distance) C4'-P energy: -61.916
bonds (distance) P-C4' energy: -58.617
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: -87.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1047.798260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.798260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.798260 (E_RNA)
where:
Base-Base interactions energy: -723.462
where: short stacking energy: -314.657
Base-Backbone interact. energy: -1.542
local terms energy: -322.794472
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -89.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1028.324101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.324101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.324101 (E_RNA)
where:
Base-Base interactions energy: -702.489
where: short stacking energy: -316.847
Base-Backbone interact. energy: 0.283
local terms energy: -326.118164
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -61.244
flat angles C4'-P-C4' energy: -71.479
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -87.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -976.869583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.869583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.869583 (E_RNA)
where:
Base-Base interactions energy: -671.972
where: short stacking energy: -275.737
Base-Backbone interact. energy: -0.692
local terms energy: -304.206462
where:
bonds (distance) C4'-P energy: -63.341
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -71.235
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -77.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -935.604452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.604452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.604452 (E_RNA)
where:
Base-Base interactions energy: -654.068
where: short stacking energy: -270.074
Base-Backbone interact. energy: -1.330
local terms energy: -280.206070
where:
bonds (distance) C4'-P energy: -62.399
bonds (distance) P-C4' energy: -60.255
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -883.610871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.610871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.610871 (E_RNA)
where:
Base-Base interactions energy: -609.986
where: short stacking energy: -264.990
Base-Backbone interact. energy: 0.814
local terms energy: -274.439425
where:
bonds (distance) C4'-P energy: -57.064
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -42.267
tors. eta vs tors. theta energy: -68.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -726.863055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.863055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.863055 (E_RNA)
where:
Base-Base interactions energy: -514.637
where: short stacking energy: -214.108
Base-Backbone interact. energy: -0.588
local terms energy: -211.637742
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -43.391
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -34.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -675.220076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.220076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.220076 (E_RNA)
where:
Base-Base interactions energy: -449.028
where: short stacking energy: -207.227
Base-Backbone interact. energy: -2.739
local terms energy: -223.453468
where:
bonds (distance) C4'-P energy: -52.150
bonds (distance) P-C4' energy: -50.548
flat angles C4'-P-C4' energy: -57.103
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -41.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -416.258498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.258498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.258498 (E_RNA)
where:
Base-Base interactions energy: -223.151
where: short stacking energy: -116.423
Base-Backbone interact. energy: -0.828
local terms energy: -192.279039
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -58.174
flat angles C4'-P-C4' energy: -42.268
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1144.831660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.831660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.831660 (E_RNA)
where:
Base-Base interactions energy: -806.321
where: short stacking energy: -342.644
Base-Backbone interact. energy: -3.162
local terms energy: -335.348879
where:
bonds (distance) C4'-P energy: -62.340
bonds (distance) P-C4' energy: -63.876
flat angles C4'-P-C4' energy: -60.749
flat angles P-C4'-P energy: -42.425
tors. eta vs tors. theta energy: -105.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1073.653055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.653055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.653055 (E_RNA)
where:
Base-Base interactions energy: -765.630
where: short stacking energy: -316.338
Base-Backbone interact. energy: -0.827
local terms energy: -307.196410
where:
bonds (distance) C4'-P energy: -48.319
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -64.506
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -89.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1036.335085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.335085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.335085 (E_RNA)
where:
Base-Base interactions energy: -728.876
where: short stacking energy: -303.080
Base-Backbone interact. energy: -1.094
local terms energy: -306.364377
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -70.349
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -78.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1024.197105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.197105 (E_RNA)
where:
Base-Base interactions energy: -716.720
where: short stacking energy: -318.329
Base-Backbone interact. energy: 0.040
local terms energy: -307.516354
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -56.161
flat angles C4'-P-C4' energy: -61.704
flat angles P-C4'-P energy: -48.301
tors. eta vs tors. theta energy: -86.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1014.460921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.460921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.460921 (E_RNA)
where:
Base-Base interactions energy: -710.521
where: short stacking energy: -303.938
Base-Backbone interact. energy: -0.786
local terms energy: -303.154128
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -85.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -921.402778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.402778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.402778 (E_RNA)
where:
Base-Base interactions energy: -668.425
where: short stacking energy: -269.886
Base-Backbone interact. energy: -0.099
local terms energy: -252.878363
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -48.371
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -70.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -848.789722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.789722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.789722 (E_RNA)
where:
Base-Base interactions energy: -604.129
where: short stacking energy: -272.782
Base-Backbone interact. energy: -1.647
local terms energy: -243.012877
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -70.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -748.296858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.296858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.296858 (E_RNA)
where:
Base-Base interactions energy: -517.011
where: short stacking energy: -205.408
Base-Backbone interact. energy: 4.696
local terms energy: -235.981642
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -44.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -640.522002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.522002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.522002 (E_RNA)
where:
Base-Base interactions energy: -441.822
where: short stacking energy: -193.349
Base-Backbone interact. energy: 2.301
local terms energy: -201.000868
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -44.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -470.196361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.196361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.196361 (E_RNA)
where:
Base-Base interactions energy: -285.456
where: short stacking energy: -135.100
Base-Backbone interact. energy: -4.004
local terms energy: -180.736607
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -45.054
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1131.173735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.173735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.173735 (E_RNA)
where:
Base-Base interactions energy: -802.262
where: short stacking energy: -333.888
Base-Backbone interact. energy: -2.064
local terms energy: -326.847689
where:
bonds (distance) C4'-P energy: -65.775
bonds (distance) P-C4' energy: -50.150
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: -97.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1080.485348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.485348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.485348 (E_RNA)
where:
Base-Base interactions energy: -758.180
where: short stacking energy: -330.971
Base-Backbone interact. energy: -0.766
local terms energy: -321.538721
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -62.758
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -97.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1074.090851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.090851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.090851 (E_RNA)
where:
Base-Base interactions energy: -765.333
where: short stacking energy: -310.872
Base-Backbone interact. energy: -0.846
local terms energy: -307.912051
where:
bonds (distance) C4'-P energy: -47.843
bonds (distance) P-C4' energy: -56.065
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -87.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1030.188592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.188592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.188592 (E_RNA)
where:
Base-Base interactions energy: -724.463
where: short stacking energy: -301.549
Base-Backbone interact. energy: 0.376
local terms energy: -306.101118
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -57.967
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -44.069
tors. eta vs tors. theta energy: -92.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -979.023921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.023921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.023921 (E_RNA)
where:
Base-Base interactions energy: -677.291
where: short stacking energy: -289.301
Base-Backbone interact. energy: 1.283
local terms energy: -303.016187
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -66.797
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: -82.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -944.763082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.763082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.763082 (E_RNA)
where:
Base-Base interactions energy: -655.036
where: short stacking energy: -269.663
Base-Backbone interact. energy: 2.260
local terms energy: -291.987739
where:
bonds (distance) C4'-P energy: -57.779
bonds (distance) P-C4' energy: -59.478
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -74.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -841.627882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.627882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.627882 (E_RNA)
where:
Base-Base interactions energy: -568.121
where: short stacking energy: -246.102
Base-Backbone interact. energy: -0.748
local terms energy: -272.758960
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -65.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -761.558091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.558091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.558091 (E_RNA)
where:
Base-Base interactions energy: -519.076
where: short stacking energy: -213.334
Base-Backbone interact. energy: -2.080
local terms energy: -240.402786
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -51.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -624.672873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.672873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.672873 (E_RNA)
where:
Base-Base interactions energy: -411.466
where: short stacking energy: -194.243
Base-Backbone interact. energy: 2.882
local terms energy: -216.088778
where:
bonds (distance) C4'-P energy: -41.897
bonds (distance) P-C4' energy: -54.443
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -40.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -436.332265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.332265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.332265 (E_RNA)
where:
Base-Base interactions energy: -263.525
where: short stacking energy: -131.622
Base-Backbone interact. energy: -1.916
local terms energy: -170.891382
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1156.585891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.585891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.585891 (E_RNA)
where:
Base-Base interactions energy: -821.829
where: short stacking energy: -337.531
Base-Backbone interact. energy: -1.287
local terms energy: -333.469986
where:
bonds (distance) C4'-P energy: -65.580
bonds (distance) P-C4' energy: -62.847
flat angles C4'-P-C4' energy: -69.173
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -94.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1089.505245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.505245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.505245 (E_RNA)
where:
Base-Base interactions energy: -763.999
where: short stacking energy: -308.393
Base-Backbone interact. energy: -0.547
local terms energy: -324.959416
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -73.898
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -94.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1062.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.181314 (E_RNA)
where:
Base-Base interactions energy: -756.618
where: short stacking energy: -315.390
Base-Backbone interact. energy: -0.757
local terms energy: -304.805906
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -55.135
flat angles C4'-P-C4' energy: -52.811
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -88.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1028.796222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.796222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.796222 (E_RNA)
where:
Base-Base interactions energy: -717.250
where: short stacking energy: -316.276
Base-Backbone interact. energy: 2.354
local terms energy: -313.900731
where:
bonds (distance) C4'-P energy: -60.052
bonds (distance) P-C4' energy: -60.145
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -94.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -974.573586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.573586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.573586 (E_RNA)
where:
Base-Base interactions energy: -695.320
where: short stacking energy: -281.308
Base-Backbone interact. energy: -1.424
local terms energy: -277.828943
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -59.088
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -983.044441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.044441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.044441 (E_RNA)
where:
Base-Base interactions energy: -703.069
where: short stacking energy: -275.707
Base-Backbone interact. energy: 3.437
local terms energy: -283.412488
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -62.468
flat angles C4'-P-C4' energy: -62.759
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -79.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -823.512550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.512550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.512550 (E_RNA)
where:
Base-Base interactions energy: -559.552
where: short stacking energy: -235.387
Base-Backbone interact. energy: -1.410
local terms energy: -262.550986
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -61.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -765.060993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.060993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.060993 (E_RNA)
where:
Base-Base interactions energy: -520.707
where: short stacking energy: -215.734
Base-Backbone interact. energy: -0.644
local terms energy: -243.710408
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -52.221
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -30.771
tors. eta vs tors. theta energy: -50.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -651.708634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.708634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.708634 (E_RNA)
where:
Base-Base interactions energy: -419.916
where: short stacking energy: -180.513
Base-Backbone interact. energy: -1.574
local terms energy: -230.218945
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -43.602
flat angles C4'-P-C4' energy: -66.307
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -33.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -419.715639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.715639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.715639 (E_RNA)
where:
Base-Base interactions energy: -228.569
where: short stacking energy: -124.242
Base-Backbone interact. energy: -0.862
local terms energy: -190.284488
where:
bonds (distance) C4'-P energy: -35.324
bonds (distance) P-C4' energy: -53.352
flat angles C4'-P-C4' energy: -48.991
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1134.996020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.996020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.996020 (E_RNA)
where:
Base-Base interactions energy: -793.025
where: short stacking energy: -339.743
Base-Backbone interact. energy: -1.968
local terms energy: -340.002072
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -58.618
flat angles C4'-P-C4' energy: -71.021
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -104.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1062.914523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.914523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.914523 (E_RNA)
where:
Base-Base interactions energy: -745.910
where: short stacking energy: -307.144
Base-Backbone interact. energy: -1.583
local terms energy: -315.421821
where:
bonds (distance) C4'-P energy: -55.622
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -85.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1061.264526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.264526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.264526 (E_RNA)
where:
Base-Base interactions energy: -737.095
where: short stacking energy: -316.268
Base-Backbone interact. energy: -0.326
local terms energy: -323.843671
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -49.710
tors. eta vs tors. theta energy: -93.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -999.031057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.031057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.031057 (E_RNA)
where:
Base-Base interactions energy: -694.453
where: short stacking energy: -297.901
Base-Backbone interact. energy: -0.938
local terms energy: -303.640209
where:
bonds (distance) C4'-P energy: -61.356
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -88.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -978.091577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.091577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.091577 (E_RNA)
where:
Base-Base interactions energy: -677.542
where: short stacking energy: -297.191
Base-Backbone interact. energy: -1.874
local terms energy: -298.675873
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -57.633
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -39.332
tors. eta vs tors. theta energy: -88.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -967.064161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.064161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.064161 (E_RNA)
where:
Base-Base interactions energy: -681.578
where: short stacking energy: -268.044
Base-Backbone interact. energy: -1.577
local terms energy: -283.908451
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -49.650
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -877.789423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.789423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.789423 (E_RNA)
where:
Base-Base interactions energy: -635.620
where: short stacking energy: -245.294
Base-Backbone interact. energy: -0.700
local terms energy: -241.468799
where:
bonds (distance) C4'-P energy: -40.119
bonds (distance) P-C4' energy: -55.707
flat angles C4'-P-C4' energy: -59.010
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -58.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -774.894111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.894111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.894111 (E_RNA)
where:
Base-Base interactions energy: -512.636
where: short stacking energy: -239.468
Base-Backbone interact. energy: -1.743
local terms energy: -260.515781
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -62.874
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -57.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -658.076451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.076451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.076451 (E_RNA)
where:
Base-Base interactions energy: -436.118
where: short stacking energy: -197.446
Base-Backbone interact. energy: 0.920
local terms energy: -222.878377
where:
bonds (distance) C4'-P energy: -40.256
bonds (distance) P-C4' energy: -47.976
flat angles C4'-P-C4' energy: -64.128
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -36.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -404.247779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.247779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.247779 (E_RNA)
where:
Base-Base interactions energy: -227.426
where: short stacking energy: -120.464
Base-Backbone interact. energy: -1.096
local terms energy: -175.726126
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1158.875298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.875298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.875298 (E_RNA)
where:
Base-Base interactions energy: -820.485
where: short stacking energy: -353.218
Base-Backbone interact. energy: -1.565
local terms energy: -336.825210
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -61.384
flat angles C4'-P-C4' energy: -66.517
flat angles P-C4'-P energy: -44.458
tors. eta vs tors. theta energy: -105.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1091.469977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.469977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.469977 (E_RNA)
where:
Base-Base interactions energy: -764.916
where: short stacking energy: -310.547
Base-Backbone interact. energy: 1.955
local terms energy: -328.508900
where:
bonds (distance) C4'-P energy: -55.839
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -74.100
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -94.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1052.007709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.007709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.007709 (E_RNA)
where:
Base-Base interactions energy: -732.613
where: short stacking energy: -317.839
Base-Backbone interact. energy: -0.867
local terms energy: -318.528425
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -62.901
flat angles C4'-P-C4' energy: -65.392
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -93.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -989.718678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.718678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.718678 (E_RNA)
where:
Base-Base interactions energy: -687.602
where: short stacking energy: -298.781
Base-Backbone interact. energy: -0.518
local terms energy: -301.598014
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -81.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -968.077342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.077342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.077342 (E_RNA)
where:
Base-Base interactions energy: -684.227
where: short stacking energy: -301.247
Base-Backbone interact. energy: 0.128
local terms energy: -283.977569
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -65.191
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -83.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -980.687934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.687934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.687934 (E_RNA)
where:
Base-Base interactions energy: -670.524
where: short stacking energy: -274.246
Base-Backbone interact. energy: -1.249
local terms energy: -308.914857
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -69.688
flat angles P-C4'-P energy: -43.533
tors. eta vs tors. theta energy: -76.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -866.509755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.509755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.509755 (E_RNA)
where:
Base-Base interactions energy: -601.796
where: short stacking energy: -231.321
Base-Backbone interact. energy: -0.571
local terms energy: -264.143145
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -74.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -743.738563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.738563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.738563 (E_RNA)
where:
Base-Base interactions energy: -494.305
where: short stacking energy: -235.230
Base-Backbone interact. energy: 0.440
local terms energy: -249.873785
where:
bonds (distance) C4'-P energy: -55.060
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -55.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -621.754724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.754724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.754724 (E_RNA)
where:
Base-Base interactions energy: -396.885
where: short stacking energy: -189.874
Base-Backbone interact. energy: 1.777
local terms energy: -226.647399
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -408.410870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.410870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.410870 (E_RNA)
where:
Base-Base interactions energy: -230.513
where: short stacking energy: -133.937
Base-Backbone interact. energy: -1.898
local terms energy: -175.999795
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1163.297879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.297879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.297879 (E_RNA)
where:
Base-Base interactions energy: -819.859
where: short stacking energy: -358.525
Base-Backbone interact. energy: -1.123
local terms energy: -342.315807
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -102.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1102.413652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.413652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.413652 (E_RNA)
where:
Base-Base interactions energy: -781.204
where: short stacking energy: -325.537
Base-Backbone interact. energy: 0.982
local terms energy: -322.191809
where:
bonds (distance) C4'-P energy: -61.999
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -72.796
flat angles P-C4'-P energy: -47.241
tors. eta vs tors. theta energy: -86.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1056.776528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.776528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.776528 (E_RNA)
where:
Base-Base interactions energy: -734.235
where: short stacking energy: -310.722
Base-Backbone interact. energy: -1.103
local terms energy: -321.439383
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -59.067
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -97.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -992.044065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.044065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.044065 (E_RNA)
where:
Base-Base interactions energy: -691.779
where: short stacking energy: -277.040
Base-Backbone interact. energy: -1.961
local terms energy: -298.304462
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -61.683
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -41.166
tors. eta vs tors. theta energy: -77.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -957.230374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.230374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.230374 (E_RNA)
where:
Base-Base interactions energy: -667.010
where: short stacking energy: -300.533
Base-Backbone interact. energy: -0.808
local terms energy: -289.413301
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -57.999
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -79.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -973.104268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.104268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.104268 (E_RNA)
where:
Base-Base interactions energy: -696.187
where: short stacking energy: -302.319
Base-Backbone interact. energy: 0.356
local terms energy: -277.273269
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -65.556
flat angles P-C4'-P energy: -36.125
tors. eta vs tors. theta energy: -72.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -867.284135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.284135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.284135 (E_RNA)
where:
Base-Base interactions energy: -614.154
where: short stacking energy: -236.040
Base-Backbone interact. energy: -1.537
local terms energy: -251.593620
where:
bonds (distance) C4'-P energy: -52.051
bonds (distance) P-C4' energy: -47.409
flat angles C4'-P-C4' energy: -60.610
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -684.741438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.741438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.741438 (E_RNA)
where:
Base-Base interactions energy: -452.590
where: short stacking energy: -202.932
Base-Backbone interact. energy: 2.683
local terms energy: -234.833586
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -45.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -626.064217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.064217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.064217 (E_RNA)
where:
Base-Base interactions energy: -409.921
where: short stacking energy: -189.370
Base-Backbone interact. energy: -0.027
local terms energy: -216.115657
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -46.348
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -33.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -411.030203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.030203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.030203 (E_RNA)
where:
Base-Base interactions energy: -240.544
where: short stacking energy: -122.988
Base-Backbone interact. energy: 0.911
local terms energy: -171.397122
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1136.370063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.370063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.370063 (E_RNA)
where:
Base-Base interactions energy: -805.238
where: short stacking energy: -346.581
Base-Backbone interact. energy: -2.254
local terms energy: -328.877764
where:
bonds (distance) C4'-P energy: -60.258
bonds (distance) P-C4' energy: -58.634
flat angles C4'-P-C4' energy: -65.148
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -103.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1100.174223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.174223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.174223 (E_RNA)
where:
Base-Base interactions energy: -780.840
where: short stacking energy: -325.856
Base-Backbone interact. energy: -1.478
local terms energy: -317.855735
where:
bonds (distance) C4'-P energy: -59.693
bonds (distance) P-C4' energy: -61.160
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -85.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1059.888145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.888145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.888145 (E_RNA)
where:
Base-Base interactions energy: -744.194
where: short stacking energy: -312.133
Base-Backbone interact. energy: 0.511
local terms energy: -316.205656
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -66.752
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -85.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -999.810081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.810081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.810081 (E_RNA)
where:
Base-Base interactions energy: -702.475
where: short stacking energy: -307.279
Base-Backbone interact. energy: -1.302
local terms energy: -296.033666
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -86.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -959.320429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.320429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.320429 (E_RNA)
where:
Base-Base interactions energy: -681.399
where: short stacking energy: -290.382
Base-Backbone interact. energy: -2.205
local terms energy: -275.716320
where:
bonds (distance) C4'-P energy: -60.766
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -40.110
tors. eta vs tors. theta energy: -73.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -919.390347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.390347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.390347 (E_RNA)
where:
Base-Base interactions energy: -646.799
where: short stacking energy: -283.673
Base-Backbone interact. energy: -1.976
local terms energy: -270.615760
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -77.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -864.412988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.412988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.412988 (E_RNA)
where:
Base-Base interactions energy: -592.673
where: short stacking energy: -253.616
Base-Backbone interact. energy: -0.028
local terms energy: -271.711917
where:
bonds (distance) C4'-P energy: -45.127
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -78.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -706.136622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.136622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.136622 (E_RNA)
where:
Base-Base interactions energy: -456.965
where: short stacking energy: -201.940
Base-Backbone interact. energy: -0.221
local terms energy: -248.949991
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -58.148
flat angles C4'-P-C4' energy: -56.995
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -645.022343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.022343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.022343 (E_RNA)
where:
Base-Base interactions energy: -414.828
where: short stacking energy: -176.585
Base-Backbone interact. energy: -0.964
local terms energy: -229.230863
where:
bonds (distance) C4'-P energy: -49.351
bonds (distance) P-C4' energy: -54.911
flat angles C4'-P-C4' energy: -62.883
flat angles P-C4'-P energy: -30.992
tors. eta vs tors. theta energy: -31.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -465.556853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.556853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.556853 (E_RNA)
where:
Base-Base interactions energy: -265.290
where: short stacking energy: -138.337
Base-Backbone interact. energy: -1.068
local terms energy: -199.198845
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -49.720
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1143.694106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.694106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.694106 (E_RNA)
where:
Base-Base interactions energy: -809.591
where: short stacking energy: -359.292
Base-Backbone interact. energy: -0.997
local terms energy: -333.105764
where:
bonds (distance) C4'-P energy: -58.173
bonds (distance) P-C4' energy: -64.207
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -102.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1089.117241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.117241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.117241 (E_RNA)
where:
Base-Base interactions energy: -775.956
where: short stacking energy: -332.087
Base-Backbone interact. energy: -1.197
local terms energy: -311.964156
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -90.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1042.378858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.378858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.378858 (E_RNA)
where:
Base-Base interactions energy: -728.564
where: short stacking energy: -303.488
Base-Backbone interact. energy: 0.884
local terms energy: -314.698865
where:
bonds (distance) C4'-P energy: -64.331
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -69.257
flat angles P-C4'-P energy: -39.841
tors. eta vs tors. theta energy: -87.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -990.855205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.855205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.855205 (E_RNA)
where:
Base-Base interactions energy: -696.064
where: short stacking energy: -284.974
Base-Backbone interact. energy: -2.167
local terms energy: -292.624255
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -67.143
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -77.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -955.963564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.963564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.963564 (E_RNA)
where:
Base-Base interactions energy: -659.683
where: short stacking energy: -279.273
Base-Backbone interact. energy: -2.275
local terms energy: -294.006077
where:
bonds (distance) C4'-P energy: -66.534
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -82.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -946.377578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.377578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.377578 (E_RNA)
where:
Base-Base interactions energy: -643.471
where: short stacking energy: -269.233
Base-Backbone interact. energy: -0.499
local terms energy: -302.407637
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: -76.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -847.508583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.508583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.508583 (E_RNA)
where:
Base-Base interactions energy: -580.686
where: short stacking energy: -243.752
Base-Backbone interact. energy: -1.825
local terms energy: -264.997069
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -53.687
flat angles C4'-P-C4' energy: -50.624
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -69.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -672.322444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.322444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.322444 (E_RNA)
where:
Base-Base interactions energy: -433.939
where: short stacking energy: -197.471
Base-Backbone interact. energy: -1.563
local terms energy: -236.820318
where:
bonds (distance) C4'-P energy: -43.720
bonds (distance) P-C4' energy: -58.713
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -39.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -622.515510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.515510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.515510 (E_RNA)
where:
Base-Base interactions energy: -414.967
where: short stacking energy: -178.490
Base-Backbone interact. energy: 2.882
local terms energy: -210.430935
where:
bonds (distance) C4'-P energy: -57.496
bonds (distance) P-C4' energy: -41.414
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -416.928697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.928697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.928697 (E_RNA)
where:
Base-Base interactions energy: -242.799
where: short stacking energy: -126.049
Base-Backbone interact. energy: 0.145
local terms energy: -174.274519
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -48.701
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1152.731496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.731496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.731496 (E_RNA)
where:
Base-Base interactions energy: -817.510
where: short stacking energy: -355.241
Base-Backbone interact. energy: -1.753
local terms energy: -333.467986
where:
bonds (distance) C4'-P energy: -64.533
bonds (distance) P-C4' energy: -58.439
flat angles C4'-P-C4' energy: -66.878
flat angles P-C4'-P energy: -44.870
tors. eta vs tors. theta energy: -98.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1089.556288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.556288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.556288 (E_RNA)
where:
Base-Base interactions energy: -780.752
where: short stacking energy: -326.295
Base-Backbone interact. energy: -1.714
local terms energy: -307.090740
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -64.732
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -90.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1043.324401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.324401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.324401 (E_RNA)
where:
Base-Base interactions energy: -724.747
where: short stacking energy: -303.063
Base-Backbone interact. energy: -0.325
local terms energy: -318.252185
where:
bonds (distance) C4'-P energy: -59.165
bonds (distance) P-C4' energy: -55.755
flat angles C4'-P-C4' energy: -77.475
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: -89.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1010.816243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.816243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.816243 (E_RNA)
where:
Base-Base interactions energy: -716.736
where: short stacking energy: -285.741
Base-Backbone interact. energy: -3.963
local terms energy: -290.116882
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -42.086
tors. eta vs tors. theta energy: -80.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -977.034156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.034156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.034156 (E_RNA)
where:
Base-Base interactions energy: -686.764
where: short stacking energy: -302.816
Base-Backbone interact. energy: 2.128
local terms energy: -292.397913
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -85.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -923.992611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.992611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.992611 (E_RNA)
where:
Base-Base interactions energy: -644.459
where: short stacking energy: -270.891
Base-Backbone interact. energy: -0.388
local terms energy: -279.145927
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -881.108033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.108033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.108033 (E_RNA)
where:
Base-Base interactions energy: -589.924
where: short stacking energy: -252.190
Base-Backbone interact. energy: -1.200
local terms energy: -289.983519
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -59.133
flat angles C4'-P-C4' energy: -54.170
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -73.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -709.835704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.835704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.835704 (E_RNA)
where:
Base-Base interactions energy: -472.673
where: short stacking energy: -207.216
Base-Backbone interact. energy: -0.740
local terms energy: -236.422933
where:
bonds (distance) C4'-P energy: -56.688
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -650.237442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.237442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.237442 (E_RNA)
where:
Base-Base interactions energy: -428.818
where: short stacking energy: -192.708
Base-Backbone interact. energy: 0.551
local terms energy: -221.969895
where:
bonds (distance) C4'-P energy: -47.602
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -58.941
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -39.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -443.336564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.336564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.336564 (E_RNA)
where:
Base-Base interactions energy: -277.882
where: short stacking energy: -147.421
Base-Backbone interact. energy: 5.986
local terms energy: -171.440196
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -41.665
flat angles C4'-P-C4' energy: -52.587
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1147.886560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.886560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.886560 (E_RNA)
where:
Base-Base interactions energy: -805.916
where: short stacking energy: -345.637
Base-Backbone interact. energy: -2.264
local terms energy: -339.706703
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -66.466
flat angles C4'-P-C4' energy: -65.416
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -102.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1091.606996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.606996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.606996 (E_RNA)
where:
Base-Base interactions energy: -773.257
where: short stacking energy: -303.346
Base-Backbone interact. energy: -2.099
local terms energy: -316.250777
where:
bonds (distance) C4'-P energy: -63.419
bonds (distance) P-C4' energy: -61.535
flat angles C4'-P-C4' energy: -68.126
flat angles P-C4'-P energy: -40.525
tors. eta vs tors. theta energy: -82.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1043.795382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.795382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.795382 (E_RNA)
where:
Base-Base interactions energy: -720.152
where: short stacking energy: -302.319
Base-Backbone interact. energy: -0.773
local terms energy: -322.870332
where:
bonds (distance) C4'-P energy: -58.668
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -48.386
tors. eta vs tors. theta energy: -84.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1004.369284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.369284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.369284 (E_RNA)
where:
Base-Base interactions energy: -715.126
where: short stacking energy: -284.763
Base-Backbone interact. energy: -1.269
local terms energy: -287.973968
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -67.634
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -84.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -978.088895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.088895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.088895 (E_RNA)
where:
Base-Base interactions energy: -668.570
where: short stacking energy: -289.894
Base-Backbone interact. energy: -0.627
local terms energy: -308.891473
where:
bonds (distance) C4'-P energy: -62.321
bonds (distance) P-C4' energy: -60.792
flat angles C4'-P-C4' energy: -65.772
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -85.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -897.226898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.226898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.226898 (E_RNA)
where:
Base-Base interactions energy: -610.778
where: short stacking energy: -283.059
Base-Backbone interact. energy: -0.457
local terms energy: -285.992236
where:
bonds (distance) C4'-P energy: -51.026
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -61.026
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -878.074162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.074162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.074162 (E_RNA)
where:
Base-Base interactions energy: -617.979
where: short stacking energy: -265.760
Base-Backbone interact. energy: -2.064
local terms energy: -258.031003
where:
bonds (distance) C4'-P energy: -49.421
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -56.308
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -72.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -711.403636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.403636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.403636 (E_RNA)
where:
Base-Base interactions energy: -470.276
where: short stacking energy: -207.486
Base-Backbone interact. energy: -1.872
local terms energy: -239.255723
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -53.903
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -49.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -604.184568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.184568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.184568 (E_RNA)
where:
Base-Base interactions energy: -392.846
where: short stacking energy: -181.188
Base-Backbone interact. energy: -0.083
local terms energy: -211.255794
where:
bonds (distance) C4'-P energy: -52.366
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -30.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -425.629292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.629292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.629292 (E_RNA)
where:
Base-Base interactions energy: -230.477
where: short stacking energy: -127.040
Base-Backbone interact. energy: 0.883
local terms energy: -196.035957
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -51.638
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -36.294
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1136.779691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.779691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.779691 (E_RNA)
where:
Base-Base interactions energy: -801.633
where: short stacking energy: -338.676
Base-Backbone interact. energy: -0.530
local terms energy: -334.616739
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -63.853
flat angles C4'-P-C4' energy: -69.307
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -100.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1075.103453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.103453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.103453 (E_RNA)
where:
Base-Base interactions energy: -759.869
where: short stacking energy: -313.052
Base-Backbone interact. energy: -1.612
local terms energy: -313.622390
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -61.208
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -51.256
tors. eta vs tors. theta energy: -78.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1022.398016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.398016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.398016 (E_RNA)
where:
Base-Base interactions energy: -709.321
where: short stacking energy: -282.556
Base-Backbone interact. energy: -2.483
local terms energy: -310.593725
where:
bonds (distance) C4'-P energy: -59.064
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -68.555
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -83.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1008.481886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.481886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.481886 (E_RNA)
where:
Base-Base interactions energy: -694.850
where: short stacking energy: -302.531
Base-Backbone interact. energy: -0.266
local terms energy: -313.365581
where:
bonds (distance) C4'-P energy: -59.169
bonds (distance) P-C4' energy: -62.770
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -83.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -980.195640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.195640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.195640 (E_RNA)
where:
Base-Base interactions energy: -688.590
where: short stacking energy: -307.241
Base-Backbone interact. energy: 0.672
local terms energy: -292.278102
where:
bonds (distance) C4'-P energy: -45.556
bonds (distance) P-C4' energy: -55.895
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -83.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -914.339353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.339353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.339353 (E_RNA)
where:
Base-Base interactions energy: -629.474
where: short stacking energy: -268.699
Base-Backbone interact. energy: -0.690
local terms energy: -284.175621
where:
bonds (distance) C4'-P energy: -54.485
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -83.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -898.808719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.808719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.808719 (E_RNA)
where:
Base-Base interactions energy: -619.188
where: short stacking energy: -257.528
Base-Backbone interact. energy: 0.083
local terms energy: -279.703663
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -42.481
tors. eta vs tors. theta energy: -67.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -688.971526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.971526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.971526 (E_RNA)
where:
Base-Base interactions energy: -448.534
where: short stacking energy: -209.401
Base-Backbone interact. energy: 0.009
local terms energy: -240.446808
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -596.305154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.305154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.305154 (E_RNA)
where:
Base-Base interactions energy: -362.382
where: short stacking energy: -177.400
Base-Backbone interact. energy: -2.228
local terms energy: -231.695187
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -38.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -403.449122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.449122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.449122 (E_RNA)
where:
Base-Base interactions energy: -228.758
where: short stacking energy: -113.319
Base-Backbone interact. energy: 1.137
local terms energy: -175.828336
where:
bonds (distance) C4'-P energy: -50.525
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -60.889
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1150.246631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.246631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.246631 (E_RNA)
where:
Base-Base interactions energy: -812.096
where: short stacking energy: -342.265
Base-Backbone interact. energy: -1.275
local terms energy: -336.875597
where:
bonds (distance) C4'-P energy: -52.900
bonds (distance) P-C4' energy: -66.902
flat angles C4'-P-C4' energy: -75.550
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -102.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1082.623592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.623592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.623592 (E_RNA)
where:
Base-Base interactions energy: -764.971
where: short stacking energy: -315.533
Base-Backbone interact. energy: -2.153
local terms energy: -315.499268
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -67.980
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -87.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1037.523842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.523842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.523842 (E_RNA)
where:
Base-Base interactions energy: -728.061
where: short stacking energy: -299.287
Base-Backbone interact. energy: -0.922
local terms energy: -308.540873
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -73.962
flat angles P-C4'-P energy: -45.771
tors. eta vs tors. theta energy: -81.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1009.291496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.291496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.291496 (E_RNA)
where:
Base-Base interactions energy: -698.474
where: short stacking energy: -289.728
Base-Backbone interact. energy: -0.881
local terms energy: -309.936351
where:
bonds (distance) C4'-P energy: -53.989
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -84.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -956.342322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.342322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.342322 (E_RNA)
where:
Base-Base interactions energy: -664.441
where: short stacking energy: -290.038
Base-Backbone interact. energy: 2.310
local terms energy: -294.211042
where:
bonds (distance) C4'-P energy: -53.417
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -67.892
flat angles P-C4'-P energy: -42.178
tors. eta vs tors. theta energy: -78.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -922.130556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.130556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.130556 (E_RNA)
where:
Base-Base interactions energy: -634.703
where: short stacking energy: -289.069
Base-Backbone interact. energy: -0.592
local terms energy: -286.835580
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -62.849
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -85.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -927.747404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.747404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.747404 (E_RNA)
where:
Base-Base interactions energy: -650.067
where: short stacking energy: -272.958
Base-Backbone interact. energy: -0.912
local terms energy: -276.768373
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -66.814
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -73.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -652.954981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.954981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.954981 (E_RNA)
where:
Base-Base interactions energy: -420.039
where: short stacking energy: -192.119
Base-Backbone interact. energy: -0.423
local terms energy: -232.492999
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -53.344
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -55.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -584.692758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.692758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.692758 (E_RNA)
where:
Base-Base interactions energy: -374.487
where: short stacking energy: -168.056
Base-Backbone interact. energy: 0.641
local terms energy: -210.846340
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -56.482
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -419.441699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.441699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.441699 (E_RNA)
where:
Base-Base interactions energy: -228.194
where: short stacking energy: -127.652
Base-Backbone interact. energy: 0.282
local terms energy: -191.530183
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -51.523
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1168.443091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.443091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.443091 (E_RNA)
where:
Base-Base interactions energy: -825.551
where: short stacking energy: -341.776
Base-Backbone interact. energy: -1.238
local terms energy: -341.654443
where:
bonds (distance) C4'-P energy: -61.821
bonds (distance) P-C4' energy: -60.869
flat angles C4'-P-C4' energy: -70.449
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: -102.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1084.240813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.240813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.240813 (E_RNA)
where:
Base-Base interactions energy: -754.538
where: short stacking energy: -310.826
Base-Backbone interact. energy: -1.824
local terms energy: -327.879673
where:
bonds (distance) C4'-P energy: -58.074
bonds (distance) P-C4' energy: -63.428
flat angles C4'-P-C4' energy: -72.812
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -85.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1035.320310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.320310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.320310 (E_RNA)
where:
Base-Base interactions energy: -711.134
where: short stacking energy: -291.242
Base-Backbone interact. energy: -2.239
local terms energy: -321.947211
where:
bonds (distance) C4'-P energy: -62.613
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -79.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1015.041491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.041491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.041491 (E_RNA)
where:
Base-Base interactions energy: -726.126
where: short stacking energy: -312.837
Base-Backbone interact. energy: 0.213
local terms energy: -289.128351
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -64.031
flat angles P-C4'-P energy: -37.292
tors. eta vs tors. theta energy: -85.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -960.782969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.782969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.782969 (E_RNA)
where:
Base-Base interactions energy: -661.634
where: short stacking energy: -283.230
Base-Backbone interact. energy: -1.520
local terms energy: -297.629309
where:
bonds (distance) C4'-P energy: -52.497
bonds (distance) P-C4' energy: -50.399
flat angles C4'-P-C4' energy: -62.779
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: -83.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -895.876122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.876122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.876122 (E_RNA)
where:
Base-Base interactions energy: -615.376
where: short stacking energy: -275.916
Base-Backbone interact. energy: -1.144
local terms energy: -279.356044
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -50.443
flat angles C4'-P-C4' energy: -55.039
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -83.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -921.848051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.848051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.848051 (E_RNA)
where:
Base-Base interactions energy: -657.835
where: short stacking energy: -290.269
Base-Backbone interact. energy: 0.420
local terms energy: -264.432808
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -49.728
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -81.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -637.549708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.549708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.549708 (E_RNA)
where:
Base-Base interactions energy: -418.963
where: short stacking energy: -173.856
Base-Backbone interact. energy: -1.678
local terms energy: -216.908259
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -45.628
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -33.144
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -587.459775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.459775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.459775 (E_RNA)
where:
Base-Base interactions energy: -369.666
where: short stacking energy: -144.230
Base-Backbone interact. energy: -4.046
local terms energy: -213.748083
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -60.107
flat angles C4'-P-C4' energy: -56.678
flat angles P-C4'-P energy: -35.301
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -497.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.190317 (E_RNA)
where:
Base-Base interactions energy: -293.034
where: short stacking energy: -154.151
Base-Backbone interact. energy: -0.436
local terms energy: -203.720643
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -55.149
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1158.941684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.941684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.941684 (E_RNA)
where:
Base-Base interactions energy: -809.519
where: short stacking energy: -340.608
Base-Backbone interact. energy: -1.530
local terms energy: -347.893122
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -75.485
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: -102.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1113.454562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.454562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.454562 (E_RNA)
where:
Base-Base interactions energy: -788.625
where: short stacking energy: -323.249
Base-Backbone interact. energy: -0.309
local terms energy: -324.520937
where:
bonds (distance) C4'-P energy: -56.700
bonds (distance) P-C4' energy: -69.602
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -86.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1023.935235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.935235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.935235 (E_RNA)
where:
Base-Base interactions energy: -725.691
where: short stacking energy: -318.837
Base-Backbone interact. energy: 0.414
local terms energy: -298.657703
where:
bonds (distance) C4'-P energy: -58.460
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -85.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1033.360747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.360747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.360747 (E_RNA)
where:
Base-Base interactions energy: -717.806
where: short stacking energy: -305.764
Base-Backbone interact. energy: -2.446
local terms energy: -313.108037
where:
bonds (distance) C4'-P energy: -60.218
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -67.003
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -94.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -957.045769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.045769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.045769 (E_RNA)
where:
Base-Base interactions energy: -658.715
where: short stacking energy: -289.087
Base-Backbone interact. energy: 0.632
local terms energy: -298.962194
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -55.924
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -82.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -942.597973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.597973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.597973 (E_RNA)
where:
Base-Base interactions energy: -638.821
where: short stacking energy: -284.541
Base-Backbone interact. energy: -0.460
local terms energy: -303.316903
where:
bonds (distance) C4'-P energy: -60.898
bonds (distance) P-C4' energy: -59.306
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -81.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -892.437351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.437351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.437351 (E_RNA)
where:
Base-Base interactions energy: -617.188
where: short stacking energy: -257.643
Base-Backbone interact. energy: -0.991
local terms energy: -274.257820
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -61.906
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -70.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -685.930459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.930459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.930459 (E_RNA)
where:
Base-Base interactions energy: -448.404
where: short stacking energy: -190.964
Base-Backbone interact. energy: -0.688
local terms energy: -236.838182
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -55.166
flat angles C4'-P-C4' energy: -52.892
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -49.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -566.015381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.015381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.015381 (E_RNA)
where:
Base-Base interactions energy: -360.297
where: short stacking energy: -159.390
Base-Backbone interact. energy: -0.174
local terms energy: -205.544873
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -48.012
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -454.079317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.079317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.079317 (E_RNA)
where:
Base-Base interactions energy: -256.905
where: short stacking energy: -129.209
Base-Backbone interact. energy: -2.315
local terms energy: -194.859551
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -51.877
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1120.390443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.390443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.390443 (E_RNA)
where:
Base-Base interactions energy: -789.182
where: short stacking energy: -315.232
Base-Backbone interact. energy: -1.631
local terms energy: -329.577299
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -61.094
flat angles C4'-P-C4' energy: -69.514
flat angles P-C4'-P energy: -52.562
tors. eta vs tors. theta energy: -88.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1137.893512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.893512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.893512 (E_RNA)
where:
Base-Base interactions energy: -802.431
where: short stacking energy: -341.230
Base-Backbone interact. energy: -1.342
local terms energy: -334.120511
where:
bonds (distance) C4'-P energy: -58.102
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -66.501
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -100.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1050.217580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.217580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.217580 (E_RNA)
where:
Base-Base interactions energy: -741.002
where: short stacking energy: -318.701
Base-Backbone interact. energy: -1.003
local terms energy: -308.211692
where:
bonds (distance) C4'-P energy: -56.014
bonds (distance) P-C4' energy: -57.471
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -86.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1032.274773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.274773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.274773 (E_RNA)
where:
Base-Base interactions energy: -706.177
where: short stacking energy: -326.086
Base-Backbone interact. energy: -0.578
local terms energy: -325.519513
where:
bonds (distance) C4'-P energy: -62.448
bonds (distance) P-C4' energy: -65.234
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -94.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -953.913940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.913940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.913940 (E_RNA)
where:
Base-Base interactions energy: -657.587
where: short stacking energy: -293.328
Base-Backbone interact. energy: 1.685
local terms energy: -298.011917
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -52.926
flat angles C4'-P-C4' energy: -67.992
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -81.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -930.273837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.273837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.273837 (E_RNA)
where:
Base-Base interactions energy: -651.954
where: short stacking energy: -260.110
Base-Backbone interact. energy: -2.731
local terms energy: -275.589313
where:
bonds (distance) C4'-P energy: -44.319
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -72.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -860.257713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.257713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.257713 (E_RNA)
where:
Base-Base interactions energy: -606.519
where: short stacking energy: -256.709
Base-Backbone interact. energy: -1.198
local terms energy: -252.541217
where:
bonds (distance) C4'-P energy: -48.404
bonds (distance) P-C4' energy: -38.493
flat angles C4'-P-C4' energy: -62.019
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -70.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -692.889622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.889622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.889622 (E_RNA)
where:
Base-Base interactions energy: -452.569
where: short stacking energy: -215.934
Base-Backbone interact. energy: -0.576
local terms energy: -239.744521
where:
bonds (distance) C4'-P energy: -54.856
bonds (distance) P-C4' energy: -47.712
flat angles C4'-P-C4' energy: -57.475
flat angles P-C4'-P energy: -37.302
tors. eta vs tors. theta energy: -42.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -628.130595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.130595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.130595 (E_RNA)
where:
Base-Base interactions energy: -417.217
where: short stacking energy: -214.505
Base-Backbone interact. energy: 0.102
local terms energy: -211.015691
where:
bonds (distance) C4'-P energy: -40.377
bonds (distance) P-C4' energy: -46.535
flat angles C4'-P-C4' energy: -45.085
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -47.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -420.990778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.990778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.990778 (E_RNA)
where:
Base-Base interactions energy: -239.021
where: short stacking energy: -130.873
Base-Backbone interact. energy: -1.030
local terms energy: -180.940099
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -51.968
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1124.434163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.434163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.434163 (E_RNA)
where:
Base-Base interactions energy: -794.682
where: short stacking energy: -325.139
Base-Backbone interact. energy: -0.771
local terms energy: -328.980658
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -76.586
flat angles P-C4'-P energy: -45.619
tors. eta vs tors. theta energy: -89.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1135.458277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.458277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.458277 (E_RNA)
where:
Base-Base interactions energy: -792.543
where: short stacking energy: -344.042
Base-Backbone interact. energy: -2.116
local terms energy: -340.799362
where:
bonds (distance) C4'-P energy: -61.327
bonds (distance) P-C4' energy: -65.043
flat angles C4'-P-C4' energy: -69.314
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -97.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1062.905813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.905813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.905813 (E_RNA)
where:
Base-Base interactions energy: -752.951
where: short stacking energy: -327.765
Base-Backbone interact. energy: -2.682
local terms energy: -307.273103
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -87.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1051.037675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.037675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.037675 (E_RNA)
where:
Base-Base interactions energy: -736.221
where: short stacking energy: -328.589
Base-Backbone interact. energy: -0.230
local terms energy: -314.587142
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -65.264
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -89.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -959.149633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.149633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.149633 (E_RNA)
where:
Base-Base interactions energy: -661.589
where: short stacking energy: -300.370
Base-Backbone interact. energy: -1.335
local terms energy: -296.225730
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -87.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -947.120448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.120448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.120448 (E_RNA)
where:
Base-Base interactions energy: -667.214
where: short stacking energy: -278.522
Base-Backbone interact. energy: -1.284
local terms energy: -278.622375
where:
bonds (distance) C4'-P energy: -45.408
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -77.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -893.990945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.990945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.990945 (E_RNA)
where:
Base-Base interactions energy: -616.287
where: short stacking energy: -264.846
Base-Backbone interact. energy: -2.065
local terms energy: -275.638815
where:
bonds (distance) C4'-P energy: -48.882
bonds (distance) P-C4' energy: -59.923
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -73.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -707.330720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.330720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.330720 (E_RNA)
where:
Base-Base interactions energy: -479.639
where: short stacking energy: -205.849
Base-Backbone interact. energy: -0.399
local terms energy: -227.292762
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -58.261
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -616.109248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.109248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.109248 (E_RNA)
where:
Base-Base interactions energy: -388.421
where: short stacking energy: -200.941
Base-Backbone interact. energy: 8.281
local terms energy: -235.969275
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -421.639624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.639624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.639624 (E_RNA)
where:
Base-Base interactions energy: -255.588
where: short stacking energy: -123.809
Base-Backbone interact. energy: 4.057
local terms energy: -170.108313
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1122.740635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.740635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.740635 (E_RNA)
where:
Base-Base interactions energy: -793.912
where: short stacking energy: -330.572
Base-Backbone interact. energy: -1.860
local terms energy: -326.968557
where:
bonds (distance) C4'-P energy: -61.593
bonds (distance) P-C4' energy: -59.878
flat angles C4'-P-C4' energy: -65.267
flat angles P-C4'-P energy: -49.980
tors. eta vs tors. theta energy: -90.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1118.258425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.258425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.258425 (E_RNA)
where:
Base-Base interactions energy: -786.158
where: short stacking energy: -322.082
Base-Backbone interact. energy: -0.836
local terms energy: -331.264289
where:
bonds (distance) C4'-P energy: -55.087
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -98.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1056.710495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.710495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.710495 (E_RNA)
where:
Base-Base interactions energy: -749.251
where: short stacking energy: -316.254
Base-Backbone interact. energy: -1.955
local terms energy: -305.504221
where:
bonds (distance) C4'-P energy: -61.943
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -65.475
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -87.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1012.946086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.946086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.946086 (E_RNA)
where:
Base-Base interactions energy: -702.578
where: short stacking energy: -294.824
Base-Backbone interact. energy: -2.604
local terms energy: -307.764488
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -50.117
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -90.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -960.695876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.695876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.695876 (E_RNA)
where:
Base-Base interactions energy: -667.243
where: short stacking energy: -287.002
Base-Backbone interact. energy: -1.212
local terms energy: -292.240257
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -66.711
flat angles C4'-P-C4' energy: -64.318
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -74.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -935.028789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.028789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.028789 (E_RNA)
where:
Base-Base interactions energy: -639.873
where: short stacking energy: -279.186
Base-Backbone interact. energy: -0.896
local terms energy: -294.259833
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -80.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -845.437177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.437177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.437177 (E_RNA)
where:
Base-Base interactions energy: -600.557
where: short stacking energy: -251.620
Base-Backbone interact. energy: 0.230
local terms energy: -245.110091
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -56.944
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -65.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -710.067684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.067684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.067684 (E_RNA)
where:
Base-Base interactions energy: -475.336
where: short stacking energy: -218.318
Base-Backbone interact. energy: -0.843
local terms energy: -233.889057
where:
bonds (distance) C4'-P energy: -39.017
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -52.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -578.557948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.557948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.557948 (E_RNA)
where:
Base-Base interactions energy: -385.460
where: short stacking energy: -187.636
Base-Backbone interact. energy: 3.087
local terms energy: -196.184977
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -29.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -415.854661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.854661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.854661 (E_RNA)
where:
Base-Base interactions energy: -232.765
where: short stacking energy: -124.129
Base-Backbone interact. energy: -2.737
local terms energy: -180.352114
where:
bonds (distance) C4'-P energy: -54.183
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -29.986
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1117.530714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.530714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.530714 (E_RNA)
where:
Base-Base interactions energy: -785.362
where: short stacking energy: -320.144
Base-Backbone interact. energy: -2.107
local terms energy: -330.062635
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -64.075
flat angles P-C4'-P energy: -52.000
tors. eta vs tors. theta energy: -91.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1134.526789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.526789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.526789 (E_RNA)
where:
Base-Base interactions energy: -805.320
where: short stacking energy: -351.603
Base-Backbone interact. energy: -1.611
local terms energy: -327.595661
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -59.654
flat angles C4'-P-C4' energy: -69.504
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -102.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1053.643152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.643152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.643152 (E_RNA)
where:
Base-Base interactions energy: -755.467
where: short stacking energy: -315.572
Base-Backbone interact. energy: -3.895
local terms energy: -294.281041
where:
bonds (distance) C4'-P energy: -54.554
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -65.311
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -81.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1050.186356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.186356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.186356 (E_RNA)
where:
Base-Base interactions energy: -737.582
where: short stacking energy: -320.124
Base-Backbone interact. energy: -1.827
local terms energy: -310.777319
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -61.731
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -87.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -974.168097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.168097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.168097 (E_RNA)
where:
Base-Base interactions energy: -673.228
where: short stacking energy: -281.830
Base-Backbone interact. energy: -0.610
local terms energy: -300.329499
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -58.456
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -44.821
tors. eta vs tors. theta energy: -80.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -950.136607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.136607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.136607 (E_RNA)
where:
Base-Base interactions energy: -667.409
where: short stacking energy: -280.274
Base-Backbone interact. energy: 0.034
local terms energy: -282.760997
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -65.347
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -75.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -893.864454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.864454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.864454 (E_RNA)
where:
Base-Base interactions energy: -606.261
where: short stacking energy: -257.332
Base-Backbone interact. energy: -1.610
local terms energy: -285.993287
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -74.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -603.613221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.613221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.613221 (E_RNA)
where:
Base-Base interactions energy: -362.516
where: short stacking energy: -167.198
Base-Backbone interact. energy: -1.992
local terms energy: -239.104290
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -34.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -701.477881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.477881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.477881 (E_RNA)
where:
Base-Base interactions energy: -455.280
where: short stacking energy: -189.703
Base-Backbone interact. energy: -1.106
local terms energy: -245.092173
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -42.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -443.537009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.537009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.537009 (E_RNA)
where:
Base-Base interactions energy: -254.926
where: short stacking energy: -139.617
Base-Backbone interact. energy: -0.126
local terms energy: -188.484590
where:
bonds (distance) C4'-P energy: -53.236
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1145.922745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.922745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.922745 (E_RNA)
where:
Base-Base interactions energy: -801.593
where: short stacking energy: -342.301
Base-Backbone interact. energy: -1.326
local terms energy: -343.003490
where:
bonds (distance) C4'-P energy: -60.665
bonds (distance) P-C4' energy: -62.771
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -97.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1102.498757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.498757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.498757 (E_RNA)
where:
Base-Base interactions energy: -784.509
where: short stacking energy: -329.660
Base-Backbone interact. energy: -2.252
local terms energy: -315.737916
where:
bonds (distance) C4'-P energy: -58.791
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -35.831
tors. eta vs tors. theta energy: -93.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1060.055194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.055194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.055194 (E_RNA)
where:
Base-Base interactions energy: -758.722
where: short stacking energy: -322.897
Base-Backbone interact. energy: -0.963
local terms energy: -300.370781
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -54.007
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -87.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1027.266654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.266654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.266654 (E_RNA)
where:
Base-Base interactions energy: -712.348
where: short stacking energy: -304.571
Base-Backbone interact. energy: -4.396
local terms energy: -310.523490
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -55.554
flat angles C4'-P-C4' energy: -68.385
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -84.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -989.768159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.768159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.768159 (E_RNA)
where:
Base-Base interactions energy: -677.819
where: short stacking energy: -286.997
Base-Backbone interact. energy: -1.427
local terms energy: -310.522212
where:
bonds (distance) C4'-P energy: -55.428
bonds (distance) P-C4' energy: -59.932
flat angles C4'-P-C4' energy: -65.527
flat angles P-C4'-P energy: -45.154
tors. eta vs tors. theta energy: -84.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -938.201023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.201023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.201023 (E_RNA)
where:
Base-Base interactions energy: -669.956
where: short stacking energy: -277.996
Base-Backbone interact. energy: 1.849
local terms energy: -270.094628
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -77.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -883.275590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.275590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.275590 (E_RNA)
where:
Base-Base interactions energy: -624.706
where: short stacking energy: -262.445
Base-Backbone interact. energy: -0.400
local terms energy: -258.168931
where:
bonds (distance) C4'-P energy: -44.641
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -61.996
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -74.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -615.787829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.787829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.787829 (E_RNA)
where:
Base-Base interactions energy: -404.064
where: short stacking energy: -190.547
Base-Backbone interact. energy: -1.540
local terms energy: -210.182958
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -38.558
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -667.240825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.240825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.240825 (E_RNA)
where:
Base-Base interactions energy: -452.807
where: short stacking energy: -196.699
Base-Backbone interact. energy: 5.174
local terms energy: -219.607107
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -41.982
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -40.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -435.188148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.188148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.188148 (E_RNA)
where:
Base-Base interactions energy: -219.878
where: short stacking energy: -128.281
Base-Backbone interact. energy: -0.506
local terms energy: -214.804579
where:
bonds (distance) C4'-P energy: -50.023
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1152.586491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.586491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.586491 (E_RNA)
where:
Base-Base interactions energy: -800.826
where: short stacking energy: -334.622
Base-Backbone interact. energy: -1.807
local terms energy: -349.953343
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -70.932
flat angles P-C4'-P energy: -44.771
tors. eta vs tors. theta energy: -100.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1095.683041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.683041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.683041 (E_RNA)
where:
Base-Base interactions energy: -786.223
where: short stacking energy: -318.681
Base-Backbone interact. energy: -0.830
local terms energy: -308.630639
where:
bonds (distance) C4'-P energy: -61.131
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -88.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1040.472679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.472679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.472679 (E_RNA)
where:
Base-Base interactions energy: -715.840
where: short stacking energy: -306.764
Base-Backbone interact. energy: -1.058
local terms energy: -323.574764
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -58.852
flat angles C4'-P-C4' energy: -63.664
flat angles P-C4'-P energy: -53.794
tors. eta vs tors. theta energy: -89.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1017.524107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.524107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.524107 (E_RNA)
where:
Base-Base interactions energy: -713.492
where: short stacking energy: -293.094
Base-Backbone interact. energy: 0.392
local terms energy: -304.424162
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -58.865
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -44.967
tors. eta vs tors. theta energy: -83.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -974.440765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.440765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.440765 (E_RNA)
where:
Base-Base interactions energy: -675.874
where: short stacking energy: -302.270
Base-Backbone interact. energy: -1.396
local terms energy: -297.171163
where:
bonds (distance) C4'-P energy: -63.358
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -64.372
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -81.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1010.087210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.087210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.087210 (E_RNA)
where:
Base-Base interactions energy: -694.559
where: short stacking energy: -299.809
Base-Backbone interact. energy: -0.064
local terms energy: -315.464199
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -62.669
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -87.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -850.903441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.903441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.903441 (E_RNA)
where:
Base-Base interactions energy: -580.222
where: short stacking energy: -245.418
Base-Backbone interact. energy: -0.757
local terms energy: -269.924006
where:
bonds (distance) C4'-P energy: -42.560
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -70.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -651.156945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.156945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.156945 (E_RNA)
where:
Base-Base interactions energy: -415.207
where: short stacking energy: -197.885
Base-Backbone interact. energy: -0.231
local terms energy: -235.718830
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -56.434
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -39.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -577.057237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.057237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.057237 (E_RNA)
where:
Base-Base interactions energy: -363.468
where: short stacking energy: -178.419
Base-Backbone interact. energy: 0.037
local terms energy: -213.626531
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -35.167
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -412.508005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.508005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.508005 (E_RNA)
where:
Base-Base interactions energy: -219.813
where: short stacking energy: -121.508
Base-Backbone interact. energy: -0.901
local terms energy: -191.793542
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -55.389
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1163.352521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.352521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.352521 (E_RNA)
where:
Base-Base interactions energy: -813.101
where: short stacking energy: -330.617
Base-Backbone interact. energy: -0.902
local terms energy: -349.348985
where:
bonds (distance) C4'-P energy: -69.266
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -71.290
flat angles P-C4'-P energy: -46.005
tors. eta vs tors. theta energy: -102.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1123.460723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.460723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.460723 (E_RNA)
where:
Base-Base interactions energy: -787.655
where: short stacking energy: -333.150
Base-Backbone interact. energy: -1.426
local terms energy: -334.379603
where:
bonds (distance) C4'-P energy: -63.694
bonds (distance) P-C4' energy: -69.426
flat angles C4'-P-C4' energy: -68.138
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -90.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1041.211137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.211137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.211137 (E_RNA)
where:
Base-Base interactions energy: -719.147
where: short stacking energy: -310.258
Base-Backbone interact. energy: 0.989
local terms energy: -323.053475
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -72.706
flat angles P-C4'-P energy: -46.721
tors. eta vs tors. theta energy: -85.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1046.111623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.111623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.111623 (E_RNA)
where:
Base-Base interactions energy: -739.390
where: short stacking energy: -314.356
Base-Backbone interact. energy: -0.384
local terms energy: -306.336961
where:
bonds (distance) C4'-P energy: -48.026
bonds (distance) P-C4' energy: -60.487
flat angles C4'-P-C4' energy: -69.971
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -86.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1004.407568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.407568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.407568 (E_RNA)
where:
Base-Base interactions energy: -692.530
where: short stacking energy: -304.583
Base-Backbone interact. energy: -0.498
local terms energy: -311.379816
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -48.807
tors. eta vs tors. theta energy: -89.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -959.608516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.608516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.608516 (E_RNA)
where:
Base-Base interactions energy: -686.371
where: short stacking energy: -279.006
Base-Backbone interact. energy: 0.964
local terms energy: -274.200823
where:
bonds (distance) C4'-P energy: -49.322
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -43.252
tors. eta vs tors. theta energy: -68.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -903.115902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.115902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.115902 (E_RNA)
where:
Base-Base interactions energy: -616.788
where: short stacking energy: -275.607
Base-Backbone interact. energy: -1.577
local terms energy: -284.751454
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -56.467
flat angles C4'-P-C4' energy: -55.869
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -72.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -677.941255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.941255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.941255 (E_RNA)
where:
Base-Base interactions energy: -442.732
where: short stacking energy: -196.356
Base-Backbone interact. energy: 1.181
local terms energy: -236.390302
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -63.789
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -577.841373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.841373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.841373 (E_RNA)
where:
Base-Base interactions energy: -353.676
where: short stacking energy: -167.577
Base-Backbone interact. energy: -1.048
local terms energy: -223.117113
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -34.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -404.599976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.599976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.599976 (E_RNA)
where:
Base-Base interactions energy: -212.933
where: short stacking energy: -96.777
Base-Backbone interact. energy: -0.677
local terms energy: -190.989261
where:
bonds (distance) C4'-P energy: -55.596
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1149.037699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.037699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.037699 (E_RNA)
where:
Base-Base interactions energy: -820.993
where: short stacking energy: -332.381
Base-Backbone interact. energy: -0.009
local terms energy: -328.035698
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -59.952
flat angles C4'-P-C4' energy: -66.183
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -101.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1103.672274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.672274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.672274 (E_RNA)
where:
Base-Base interactions energy: -781.402
where: short stacking energy: -339.181
Base-Backbone interact. energy: 2.538
local terms energy: -324.808977
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -69.986
flat angles P-C4'-P energy: -45.673
tors. eta vs tors. theta energy: -96.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1063.832666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.832666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.832666 (E_RNA)
where:
Base-Base interactions energy: -751.698
where: short stacking energy: -309.347
Base-Backbone interact. energy: 3.267
local terms energy: -315.400881
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -62.054
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -83.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1050.219948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.219948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.219948 (E_RNA)
where:
Base-Base interactions energy: -736.061
where: short stacking energy: -320.324
Base-Backbone interact. energy: -1.079
local terms energy: -313.079597
where:
bonds (distance) C4'-P energy: -52.917
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -70.768
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -87.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -980.515118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.515118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.515118 (E_RNA)
where:
Base-Base interactions energy: -673.476
where: short stacking energy: -289.415
Base-Backbone interact. energy: -1.035
local terms energy: -306.004185
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -61.687
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -45.880
tors. eta vs tors. theta energy: -85.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -959.794129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.794129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.794129 (E_RNA)
where:
Base-Base interactions energy: -665.103
where: short stacking energy: -281.631
Base-Backbone interact. energy: -1.432
local terms energy: -293.258521
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -66.103
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -78.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -847.758354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.758354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.758354 (E_RNA)
where:
Base-Base interactions energy: -589.661
where: short stacking energy: -232.544
Base-Backbone interact. energy: 0.336
local terms energy: -258.432864
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -51.955
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -58.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -662.415238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.415238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.415238 (E_RNA)
where:
Base-Base interactions energy: -422.063
where: short stacking energy: -194.303
Base-Backbone interact. energy: -0.444
local terms energy: -239.908073
where:
bonds (distance) C4'-P energy: -49.504
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -28.429
tors. eta vs tors. theta energy: -48.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -580.714356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.714356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.714356 (E_RNA)
where:
Base-Base interactions energy: -355.975
where: short stacking energy: -159.861
Base-Backbone interact. energy: -0.842
local terms energy: -223.897527
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -54.944
flat angles C4'-P-C4' energy: -58.277
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -30.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -412.885444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.885444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.885444 (E_RNA)
where:
Base-Base interactions energy: -225.645
where: short stacking energy: -113.105
Base-Backbone interact. energy: -0.741
local terms energy: -186.499983
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -54.848
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1128.444839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.444839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.444839 (E_RNA)
where:
Base-Base interactions energy: -793.082
where: short stacking energy: -335.985
Base-Backbone interact. energy: -3.282
local terms energy: -332.081021
where:
bonds (distance) C4'-P energy: -60.040
bonds (distance) P-C4' energy: -56.907
flat angles C4'-P-C4' energy: -78.437
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -92.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1127.371236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.371236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.371236 (E_RNA)
where:
Base-Base interactions energy: -798.846
where: short stacking energy: -343.443
Base-Backbone interact. energy: -1.189
local terms energy: -327.336345
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -69.146
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -39.142
tors. eta vs tors. theta energy: -100.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1062.057477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.057477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.057477 (E_RNA)
where:
Base-Base interactions energy: -747.091
where: short stacking energy: -323.239
Base-Backbone interact. energy: -1.079
local terms energy: -313.887251
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -61.173
flat angles C4'-P-C4' energy: -64.562
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -90.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1034.243348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.243348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.243348 (E_RNA)
where:
Base-Base interactions energy: -734.671
where: short stacking energy: -298.873
Base-Backbone interact. energy: -1.309
local terms energy: -298.263918
where:
bonds (distance) C4'-P energy: -48.676
bonds (distance) P-C4' energy: -65.021
flat angles C4'-P-C4' energy: -59.542
flat angles P-C4'-P energy: -37.671
tors. eta vs tors. theta energy: -87.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -972.510103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.510103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.510103 (E_RNA)
where:
Base-Base interactions energy: -675.730
where: short stacking energy: -289.278
Base-Backbone interact. energy: -0.851
local terms energy: -295.928750
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -53.095
flat angles C4'-P-C4' energy: -66.731
flat angles P-C4'-P energy: -41.835
tors. eta vs tors. theta energy: -82.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -976.091404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.091404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.091404 (E_RNA)
where:
Base-Base interactions energy: -687.379
where: short stacking energy: -299.308
Base-Backbone interact. energy: 0.056
local terms energy: -288.767908
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -57.663
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -79.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -841.636942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.636942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.636942 (E_RNA)
where:
Base-Base interactions energy: -578.479
where: short stacking energy: -256.493
Base-Backbone interact. energy: -2.021
local terms energy: -261.136680
where:
bonds (distance) C4'-P energy: -44.598
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -72.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -694.156788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.156788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.156788 (E_RNA)
where:
Base-Base interactions energy: -455.793
where: short stacking energy: -212.333
Base-Backbone interact. energy: -1.933
local terms energy: -236.431130
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -65.926
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -558.184076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.184076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.184076 (E_RNA)
where:
Base-Base interactions energy: -350.515
where: short stacking energy: -164.646
Base-Backbone interact. energy: -1.599
local terms energy: -206.070469
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -50.700
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -410.561559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.561559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.561559 (E_RNA)
where:
Base-Base interactions energy: -224.630
where: short stacking energy: -113.120
Base-Backbone interact. energy: 0.083
local terms energy: -186.014128
where:
bonds (distance) C4'-P energy: -53.753
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -42.000
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1138.507880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.507880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.507880 (E_RNA)
where:
Base-Base interactions energy: -805.087
where: short stacking energy: -332.584
Base-Backbone interact. energy: -1.400
local terms energy: -332.020814
where:
bonds (distance) C4'-P energy: -59.794
bonds (distance) P-C4' energy: -63.155
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -88.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1134.674084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.674084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.674084 (E_RNA)
where:
Base-Base interactions energy: -800.483
where: short stacking energy: -345.409
Base-Backbone interact. energy: -0.809
local terms energy: -333.381226
where:
bonds (distance) C4'-P energy: -65.279
bonds (distance) P-C4' energy: -59.379
flat angles C4'-P-C4' energy: -68.967
flat angles P-C4'-P energy: -40.112
tors. eta vs tors. theta energy: -99.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1054.489549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.489549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.489549 (E_RNA)
where:
Base-Base interactions energy: -739.493
where: short stacking energy: -320.343
Base-Backbone interact. energy: -1.394
local terms energy: -313.602604
where:
bonds (distance) C4'-P energy: -49.329
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -67.375
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -90.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1023.856759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.856759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.856759 (E_RNA)
where:
Base-Base interactions energy: -716.733
where: short stacking energy: -323.780
Base-Backbone interact. energy: -0.726
local terms energy: -306.397867
where:
bonds (distance) C4'-P energy: -56.075
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -64.966
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -83.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1002.260490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.260490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.260490 (E_RNA)
where:
Base-Base interactions energy: -698.222
where: short stacking energy: -295.139
Base-Backbone interact. energy: -0.932
local terms energy: -303.105840
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -87.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -994.138575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.138575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.138575 (E_RNA)
where:
Base-Base interactions energy: -679.245
where: short stacking energy: -302.361
Base-Backbone interact. energy: -0.850
local terms energy: -314.043156
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -68.445
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -91.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -842.878350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.878350 (E_RNA)
where:
Base-Base interactions energy: -593.620
where: short stacking energy: -254.031
Base-Backbone interact. energy: -0.101
local terms energy: -249.157107
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -66.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -737.135024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.135024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.135024 (E_RNA)
where:
Base-Base interactions energy: -507.531
where: short stacking energy: -226.362
Base-Backbone interact. energy: -2.485
local terms energy: -227.119365
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -42.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -541.326504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.326504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.326504 (E_RNA)
where:
Base-Base interactions energy: -333.573
where: short stacking energy: -173.282
Base-Backbone interact. energy: 2.489
local terms energy: -210.243240
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -472.669923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.669923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.669923 (E_RNA)
where:
Base-Base interactions energy: -262.498
where: short stacking energy: -149.879
Base-Backbone interact. energy: -0.885
local terms energy: -209.286806
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -68.285
flat angles C4'-P-C4' energy: -42.329
flat angles P-C4'-P energy: -29.271
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1148.264844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.264844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.264844 (E_RNA)
where:
Base-Base interactions energy: -807.208
where: short stacking energy: -333.651
Base-Backbone interact. energy: -2.438
local terms energy: -338.618862
where:
bonds (distance) C4'-P energy: -59.521
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -51.772
tors. eta vs tors. theta energy: -94.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1128.874360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.874360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.874360 (E_RNA)
where:
Base-Base interactions energy: -801.758
where: short stacking energy: -354.045
Base-Backbone interact. energy: 0.466
local terms energy: -327.581684
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -59.596
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -47.433
tors. eta vs tors. theta energy: -97.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1038.514578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.514578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.514578 (E_RNA)
where:
Base-Base interactions energy: -724.137
where: short stacking energy: -300.860
Base-Backbone interact. energy: -0.861
local terms energy: -313.516993
where:
bonds (distance) C4'-P energy: -68.897
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -39.299
tors. eta vs tors. theta energy: -84.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1020.494362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.494362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.494362 (E_RNA)
where:
Base-Base interactions energy: -725.025
where: short stacking energy: -295.564
Base-Backbone interact. energy: -1.933
local terms energy: -293.536663
where:
bonds (distance) C4'-P energy: -57.500
bonds (distance) P-C4' energy: -51.625
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: -78.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1002.293376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.293376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.293376 (E_RNA)
where:
Base-Base interactions energy: -704.001
where: short stacking energy: -303.906
Base-Backbone interact. energy: -0.679
local terms energy: -297.613170
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -51.552
flat angles C4'-P-C4' energy: -63.829
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -81.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -945.098808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.098808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.098808 (E_RNA)
where:
Base-Base interactions energy: -643.321
where: short stacking energy: -274.944
Base-Backbone interact. energy: -2.169
local terms energy: -299.608013
where:
bonds (distance) C4'-P energy: -52.433
bonds (distance) P-C4' energy: -56.463
flat angles C4'-P-C4' energy: -67.770
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -81.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -782.659019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.659019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.659019 (E_RNA)
where:
Base-Base interactions energy: -514.501
where: short stacking energy: -242.986
Base-Backbone interact. energy: -1.885
local terms energy: -266.272303
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -53.292
flat angles C4'-P-C4' energy: -58.505
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -66.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -801.807478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.807478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.807478 (E_RNA)
where:
Base-Base interactions energy: -546.090
where: short stacking energy: -228.690
Base-Backbone interact. energy: 2.152
local terms energy: -257.870157
where:
bonds (distance) C4'-P energy: -43.735
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -60.627
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -56.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -571.701276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.701276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.701276 (E_RNA)
where:
Base-Base interactions energy: -367.724
where: short stacking energy: -175.107
Base-Backbone interact. energy: -2.616
local terms energy: -201.361495
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -48.222
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -493.363641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.363641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.363641 (E_RNA)
where:
Base-Base interactions energy: -294.761
where: short stacking energy: -144.377
Base-Backbone interact. energy: -1.806
local terms energy: -196.797068
where:
bonds (distance) C4'-P energy: -45.937
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -33.718
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1152.176918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.176918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.176918 (E_RNA)
where:
Base-Base interactions energy: -812.212
where: short stacking energy: -336.937
Base-Backbone interact. energy: -1.144
local terms energy: -338.820483
where:
bonds (distance) C4'-P energy: -55.335
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -94.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1125.704829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.704829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.704829 (E_RNA)
where:
Base-Base interactions energy: -791.724
where: short stacking energy: -342.883
Base-Backbone interact. energy: 1.177
local terms energy: -335.158071
where:
bonds (distance) C4'-P energy: -61.809
bonds (distance) P-C4' energy: -62.090
flat angles C4'-P-C4' energy: -64.682
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -102.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1054.904323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.904323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.904323 (E_RNA)
where:
Base-Base interactions energy: -743.811
where: short stacking energy: -311.999
Base-Backbone interact. energy: -0.566
local terms energy: -310.527325
where:
bonds (distance) C4'-P energy: -52.028
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -85.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1022.127755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.127755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.127755 (E_RNA)
where:
Base-Base interactions energy: -708.423
where: short stacking energy: -299.110
Base-Backbone interact. energy: -1.683
local terms energy: -312.021009
where:
bonds (distance) C4'-P energy: -59.993
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -45.360
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -949.584738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.584738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.584738 (E_RNA)
where:
Base-Base interactions energy: -653.074
where: short stacking energy: -277.376
Base-Backbone interact. energy: -1.160
local terms energy: -295.350552
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -72.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -953.995149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.995149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.995149 (E_RNA)
where:
Base-Base interactions energy: -655.546
where: short stacking energy: -289.781
Base-Backbone interact. energy: 0.097
local terms energy: -298.546167
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -62.520
flat angles P-C4'-P energy: -39.229
tors. eta vs tors. theta energy: -87.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -789.285459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.285459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.285459 (E_RNA)
where:
Base-Base interactions energy: -534.555
where: short stacking energy: -241.636
Base-Backbone interact. energy: -1.784
local terms energy: -252.945722
where:
bonds (distance) C4'-P energy: -43.660
bonds (distance) P-C4' energy: -60.833
flat angles C4'-P-C4' energy: -52.248
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -53.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -749.955764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.955764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.955764 (E_RNA)
where:
Base-Base interactions energy: -511.444
where: short stacking energy: -220.463
Base-Backbone interact. energy: -0.851
local terms energy: -237.660246
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -39.644
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -545.171191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.171191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.171191 (E_RNA)
where:
Base-Base interactions energy: -331.644
where: short stacking energy: -154.574
Base-Backbone interact. energy: -0.643
local terms energy: -212.883925
where:
bonds (distance) C4'-P energy: -55.255
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -526.263434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.263434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.263434 (E_RNA)
where:
Base-Base interactions energy: -314.415
where: short stacking energy: -158.686
Base-Backbone interact. energy: 0.337
local terms energy: -212.185124
where:
bonds (distance) C4'-P energy: -63.142
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1143.566882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.566882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.566882 (E_RNA)
where:
Base-Base interactions energy: -803.484
where: short stacking energy: -330.735
Base-Backbone interact. energy: -1.806
local terms energy: -338.276813
where:
bonds (distance) C4'-P energy: -64.246
bonds (distance) P-C4' energy: -64.896
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -94.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1107.192785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.192785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.192785 (E_RNA)
where:
Base-Base interactions energy: -788.190
where: short stacking energy: -338.275
Base-Backbone interact. energy: -1.142
local terms energy: -317.860163
where:
bonds (distance) C4'-P energy: -62.175
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -101.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1051.479008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.479008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.479008 (E_RNA)
where:
Base-Base interactions energy: -754.664
where: short stacking energy: -328.304
Base-Backbone interact. energy: -2.458
local terms energy: -294.356368
where:
bonds (distance) C4'-P energy: -57.131
bonds (distance) P-C4' energy: -51.291
flat angles C4'-P-C4' energy: -63.312
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -82.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1004.406108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.406108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.406108 (E_RNA)
where:
Base-Base interactions energy: -706.266
where: short stacking energy: -292.791
Base-Backbone interact. energy: -2.286
local terms energy: -295.853409
where:
bonds (distance) C4'-P energy: -48.942
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -46.818
tors. eta vs tors. theta energy: -87.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -959.067907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.067907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.067907 (E_RNA)
where:
Base-Base interactions energy: -658.928
where: short stacking energy: -288.595
Base-Backbone interact. energy: -0.676
local terms energy: -299.464008
where:
bonds (distance) C4'-P energy: -44.552
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -84.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -958.018773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.018773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.018773 (E_RNA)
where:
Base-Base interactions energy: -674.217
where: short stacking energy: -274.578
Base-Backbone interact. energy: 2.031
local terms energy: -285.832255
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -60.602
flat angles C4'-P-C4' energy: -60.596
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -75.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -740.192856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.192856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.192856 (E_RNA)
where:
Base-Base interactions energy: -493.917
where: short stacking energy: -213.806
Base-Backbone interact. energy: -0.410
local terms energy: -245.865505
where:
bonds (distance) C4'-P energy: -52.511
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -55.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -753.968677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.968677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.968677 (E_RNA)
where:
Base-Base interactions energy: -501.744
where: short stacking energy: -221.373
Base-Backbone interact. energy: -0.753
local terms energy: -251.471783
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -54.347
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -40.605
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -613.162379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.162379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.162379 (E_RNA)
where:
Base-Base interactions energy: -379.818
where: short stacking energy: -202.558
Base-Backbone interact. energy: 3.081
local terms energy: -236.425618
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -45.326
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -517.032021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.032021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.032021 (E_RNA)
where:
Base-Base interactions energy: -335.484
where: short stacking energy: -144.599
Base-Backbone interact. energy: 1.372
local terms energy: -182.920478
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -45.377
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1111.432894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.432894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.432894 (E_RNA)
where:
Base-Base interactions energy: -768.711
where: short stacking energy: -321.504
Base-Backbone interact. energy: -2.218
local terms energy: -340.504008
where:
bonds (distance) C4'-P energy: -58.773
bonds (distance) P-C4' energy: -68.282
flat angles C4'-P-C4' energy: -70.992
flat angles P-C4'-P energy: -45.235
tors. eta vs tors. theta energy: -97.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1075.554209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.554209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.554209 (E_RNA)
where:
Base-Base interactions energy: -750.498
where: short stacking energy: -320.235
Base-Backbone interact. energy: -1.135
local terms energy: -323.921780
where:
bonds (distance) C4'-P energy: -66.157
bonds (distance) P-C4' energy: -65.256
flat angles C4'-P-C4' energy: -71.311
flat angles P-C4'-P energy: -34.149
tors. eta vs tors. theta energy: -87.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1073.276396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.276396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.276396 (E_RNA)
where:
Base-Base interactions energy: -763.944
where: short stacking energy: -340.851
Base-Backbone interact. energy: 5.115
local terms energy: -314.446792
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -50.393
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -97.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1003.227304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.227304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.227304 (E_RNA)
where:
Base-Base interactions energy: -691.567
where: short stacking energy: -303.641
Base-Backbone interact. energy: -1.357
local terms energy: -310.303729
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -59.329
flat angles C4'-P-C4' energy: -74.065
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: -85.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -972.432711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.432711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.432711 (E_RNA)
where:
Base-Base interactions energy: -685.454
where: short stacking energy: -296.161
Base-Backbone interact. energy: -0.784
local terms energy: -286.194931
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -59.858
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -85.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -957.454104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.454104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.454104 (E_RNA)
where:
Base-Base interactions energy: -679.568
where: short stacking energy: -281.031
Base-Backbone interact. energy: -1.409
local terms energy: -276.477303
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -57.624
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -74.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -720.401251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.401251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.401251 (E_RNA)
where:
Base-Base interactions energy: -463.402
where: short stacking energy: -226.628
Base-Backbone interact. energy: -1.071
local terms energy: -255.928507
where:
bonds (distance) C4'-P energy: -55.117
bonds (distance) P-C4' energy: -60.670
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -53.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -778.618150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.618150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.618150 (E_RNA)
where:
Base-Base interactions energy: -529.788
where: short stacking energy: -223.677
Base-Backbone interact. energy: -2.209
local terms energy: -246.621597
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -49.825
flat angles C4'-P-C4' energy: -63.142
flat angles P-C4'-P energy: -36.793
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -584.239878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.239878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.239878 (E_RNA)
where:
Base-Base interactions energy: -350.216
where: short stacking energy: -183.333
Base-Backbone interact. energy: 1.048
local terms energy: -235.071667
where:
bonds (distance) C4'-P energy: -52.150
bonds (distance) P-C4' energy: -66.032
flat angles C4'-P-C4' energy: -43.179
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -544.293010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.293010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.293010 (E_RNA)
where:
Base-Base interactions energy: -344.226
where: short stacking energy: -146.747
Base-Backbone interact. energy: 2.275
local terms energy: -202.342185
where:
bonds (distance) C4'-P energy: -45.138
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -49.003
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: -24.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1146.126356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.126356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.126356 (E_RNA)
where:
Base-Base interactions energy: -801.854
where: short stacking energy: -324.530
Base-Backbone interact. energy: -0.548
local terms energy: -343.723876
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -74.241
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -92.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1072.177942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.177942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.177942 (E_RNA)
where:
Base-Base interactions energy: -743.408
where: short stacking energy: -309.618
Base-Backbone interact. energy: -0.755
local terms energy: -328.014776
where:
bonds (distance) C4'-P energy: -68.990
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -86.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1015.251714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.251714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.251714 (E_RNA)
where:
Base-Base interactions energy: -701.074
where: short stacking energy: -311.011
Base-Backbone interact. energy: -0.607
local terms energy: -313.570548
where:
bonds (distance) C4'-P energy: -56.247
bonds (distance) P-C4' energy: -52.803
flat angles C4'-P-C4' energy: -62.933
flat angles P-C4'-P energy: -52.837
tors. eta vs tors. theta energy: -88.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1039.475225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.475225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.475225 (E_RNA)
where:
Base-Base interactions energy: -720.291
where: short stacking energy: -311.523
Base-Backbone interact. energy: -0.730
local terms energy: -318.454591
where:
bonds (distance) C4'-P energy: -60.812
bonds (distance) P-C4' energy: -51.085
flat angles C4'-P-C4' energy: -66.299
flat angles P-C4'-P energy: -52.261
tors. eta vs tors. theta energy: -87.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -969.319673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.319673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.319673 (E_RNA)
where:
Base-Base interactions energy: -665.554
where: short stacking energy: -288.842
Base-Backbone interact. energy: -1.102
local terms energy: -302.663796
where:
bonds (distance) C4'-P energy: -54.787
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -77.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -972.940758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.940758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.940758 (E_RNA)
where:
Base-Base interactions energy: -680.268
where: short stacking energy: -293.340
Base-Backbone interact. energy: -0.929
local terms energy: -291.742935
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -55.470
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: -82.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -831.880838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.880838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.880838 (E_RNA)
where:
Base-Base interactions energy: -577.708
where: short stacking energy: -251.219
Base-Backbone interact. energy: -1.757
local terms energy: -252.415250
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -61.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -738.541979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.541979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.541979 (E_RNA)
where:
Base-Base interactions energy: -486.092
where: short stacking energy: -222.641
Base-Backbone interact. energy: -1.378
local terms energy: -251.072290
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -49.019
flat angles C4'-P-C4' energy: -51.871
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -559.399701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.399701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.399701 (E_RNA)
where:
Base-Base interactions energy: -348.153
where: short stacking energy: -175.083
Base-Backbone interact. energy: -1.380
local terms energy: -209.866164
where:
bonds (distance) C4'-P energy: -47.319
bonds (distance) P-C4' energy: -47.968
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -504.437663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.437663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.437663 (E_RNA)
where:
Base-Base interactions energy: -326.322
where: short stacking energy: -164.571
Base-Backbone interact. energy: -0.880
local terms energy: -177.235646
where:
bonds (distance) C4'-P energy: -32.708
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -30.334
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1118.223883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.223883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.223883 (E_RNA)
where:
Base-Base interactions energy: -793.731
where: short stacking energy: -332.911
Base-Backbone interact. energy: -1.042
local terms energy: -323.451357
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -64.371
flat angles C4'-P-C4' energy: -67.943
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -89.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1093.026651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.026651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.026651 (E_RNA)
where:
Base-Base interactions energy: -761.296
where: short stacking energy: -328.771
Base-Backbone interact. energy: -1.159
local terms energy: -330.572090
where:
bonds (distance) C4'-P energy: -67.087
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -93.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1035.972891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.972891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.972891 (E_RNA)
where:
Base-Base interactions energy: -701.348
where: short stacking energy: -302.154
Base-Backbone interact. energy: 0.172
local terms energy: -334.797458
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -52.743
tors. eta vs tors. theta energy: -89.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1060.011262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.011262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.011262 (E_RNA)
where:
Base-Base interactions energy: -753.751
where: short stacking energy: -319.637
Base-Backbone interact. energy: -0.529
local terms energy: -305.731138
where:
bonds (distance) C4'-P energy: -65.597
bonds (distance) P-C4' energy: -46.763
flat angles C4'-P-C4' energy: -61.116
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -90.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -962.131602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.131602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.131602 (E_RNA)
where:
Base-Base interactions energy: -670.579
where: short stacking energy: -292.471
Base-Backbone interact. energy: -1.489
local terms energy: -290.063905
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -61.748
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -75.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -897.501045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.501045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.501045 (E_RNA)
where:
Base-Base interactions energy: -602.715
where: short stacking energy: -246.977
Base-Backbone interact. energy: -1.490
local terms energy: -293.296259
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -64.647
flat angles C4'-P-C4' energy: -62.631
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -66.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -913.377309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.377309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.377309 (E_RNA)
where:
Base-Base interactions energy: -643.615
where: short stacking energy: -248.425
Base-Backbone interact. energy: 3.232
local terms energy: -272.993731
where:
bonds (distance) C4'-P energy: -49.843
bonds (distance) P-C4' energy: -53.502
flat angles C4'-P-C4' energy: -70.033
flat angles P-C4'-P energy: -33.411
tors. eta vs tors. theta energy: -66.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -731.384183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.384183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.384183 (E_RNA)
where:
Base-Base interactions energy: -479.853
where: short stacking energy: -213.467
Base-Backbone interact. energy: -2.560
local terms energy: -248.970671
where:
bonds (distance) C4'-P energy: -52.556
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -55.037
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -39.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -512.136592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.136592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.136592 (E_RNA)
where:
Base-Base interactions energy: -319.909
where: short stacking energy: -151.213
Base-Backbone interact. energy: -1.228
local terms energy: -190.998928
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -523.657026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.657026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.657026 (E_RNA)
where:
Base-Base interactions energy: -329.506
where: short stacking energy: -171.233
Base-Backbone interact. energy: 1.029
local terms energy: -195.179961
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -56.477
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1122.225785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.225785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.225785 (E_RNA)
where:
Base-Base interactions energy: -791.808
where: short stacking energy: -338.222
Base-Backbone interact. energy: -0.177
local terms energy: -330.240898
where:
bonds (distance) C4'-P energy: -70.571
bonds (distance) P-C4' energy: -60.866
flat angles C4'-P-C4' energy: -66.253
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -98.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1115.771200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.771200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.771200 (E_RNA)
where:
Base-Base interactions energy: -788.073
where: short stacking energy: -331.347
Base-Backbone interact. energy: -1.434
local terms energy: -326.264446
where:
bonds (distance) C4'-P energy: -57.554
bonds (distance) P-C4' energy: -61.600
flat angles C4'-P-C4' energy: -68.689
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -94.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1081.503231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.503231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.503231 (E_RNA)
where:
Base-Base interactions energy: -749.236
where: short stacking energy: -336.211
Base-Backbone interact. energy: -0.611
local terms energy: -331.656233
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -67.766
flat angles C4'-P-C4' energy: -65.248
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: -98.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1010.608342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.608342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.608342 (E_RNA)
where:
Base-Base interactions energy: -707.698
where: short stacking energy: -309.004
Base-Backbone interact. energy: -0.041
local terms energy: -302.869556
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -48.194
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -91.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -903.478678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.478678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.478678 (E_RNA)
where:
Base-Base interactions energy: -613.209
where: short stacking energy: -264.826
Base-Backbone interact. energy: -1.250
local terms energy: -289.018935
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -45.932
tors. eta vs tors. theta energy: -71.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -950.818911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.818911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.818911 (E_RNA)
where:
Base-Base interactions energy: -639.258
where: short stacking energy: -286.293
Base-Backbone interact. energy: -0.965
local terms energy: -310.595781
where:
bonds (distance) C4'-P energy: -60.350
bonds (distance) P-C4' energy: -59.274
flat angles C4'-P-C4' energy: -63.634
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -79.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -956.333773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.333773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.333773 (E_RNA)
where:
Base-Base interactions energy: -662.870
where: short stacking energy: -281.715
Base-Backbone interact. energy: 0.516
local terms energy: -293.980206
where:
bonds (distance) C4'-P energy: -55.123
bonds (distance) P-C4' energy: -59.414
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -80.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -758.709267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.709267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.709267 (E_RNA)
where:
Base-Base interactions energy: -501.146
where: short stacking energy: -219.052
Base-Backbone interact. energy: 1.740
local terms energy: -259.303607
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -51.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -567.360785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.360785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.360785 (E_RNA)
where:
Base-Base interactions energy: -352.980
where: short stacking energy: -154.643
Base-Backbone interact. energy: 1.890
local terms energy: -216.270626
where:
bonds (distance) C4'-P energy: -63.955
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -493.867889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.867889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.867889 (E_RNA)
where:
Base-Base interactions energy: -295.997
where: short stacking energy: -142.251
Base-Backbone interact. energy: -0.936
local terms energy: -196.934331
where:
bonds (distance) C4'-P energy: -44.551
bonds (distance) P-C4' energy: -45.096
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -27.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1115.086201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.086201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.086201 (E_RNA)
where:
Base-Base interactions energy: -795.100
where: short stacking energy: -323.561
Base-Backbone interact. energy: -1.571
local terms energy: -318.414913
where:
bonds (distance) C4'-P energy: -58.297
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -69.650
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -94.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1123.951901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.951901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.951901 (E_RNA)
where:
Base-Base interactions energy: -805.937
where: short stacking energy: -342.105
Base-Backbone interact. energy: 0.986
local terms energy: -319.000215
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -99.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1092.564232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.564232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.564232 (E_RNA)
where:
Base-Base interactions energy: -793.480
where: short stacking energy: -329.509
Base-Backbone interact. energy: -1.772
local terms energy: -297.312763
where:
bonds (distance) C4'-P energy: -59.229
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -88.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -983.333629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.333629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.333629 (E_RNA)
where:
Base-Base interactions energy: -666.832
where: short stacking energy: -291.402
Base-Backbone interact. energy: -1.291
local terms energy: -315.210335
where:
bonds (distance) C4'-P energy: -54.748
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -63.437
flat angles P-C4'-P energy: -48.215
tors. eta vs tors. theta energy: -90.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -914.358267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.358267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.358267 (E_RNA)
where:
Base-Base interactions energy: -612.288
where: short stacking energy: -281.360
Base-Backbone interact. energy: -1.708
local terms energy: -300.361702
where:
bonds (distance) C4'-P energy: -48.215
bonds (distance) P-C4' energy: -55.256
flat angles C4'-P-C4' energy: -69.440
flat angles P-C4'-P energy: -37.706
tors. eta vs tors. theta energy: -89.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -932.540751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.540751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.540751 (E_RNA)
where:
Base-Base interactions energy: -657.403
where: short stacking energy: -269.319
Base-Backbone interact. energy: 0.340
local terms energy: -275.478433
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -70.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -912.764490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.764490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.764490 (E_RNA)
where:
Base-Base interactions energy: -630.299
where: short stacking energy: -281.035
Base-Backbone interact. energy: -0.132
local terms energy: -282.333468
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -63.621
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -84.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -768.844926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.844926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.844926 (E_RNA)
where:
Base-Base interactions energy: -518.293
where: short stacking energy: -230.176
Base-Backbone interact. energy: -0.544
local terms energy: -250.007894
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -65.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -577.841310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.841310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.841310 (E_RNA)
where:
Base-Base interactions energy: -363.786
where: short stacking energy: -152.094
Base-Backbone interact. energy: -0.262
local terms energy: -213.793452
where:
bonds (distance) C4'-P energy: -44.215
bonds (distance) P-C4' energy: -46.584
flat angles C4'-P-C4' energy: -62.036
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -32.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -478.588624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.588624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.588624 (E_RNA)
where:
Base-Base interactions energy: -282.059
where: short stacking energy: -146.888
Base-Backbone interact. energy: 0.382
local terms energy: -196.912297
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -47.279
flat angles P-C4'-P energy: -26.839
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1134.260236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.260236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.260236 (E_RNA)
where:
Base-Base interactions energy: -807.882
where: short stacking energy: -338.904
Base-Backbone interact. energy: -2.122
local terms energy: -324.257001
where:
bonds (distance) C4'-P energy: -65.869
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -72.200
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -96.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1091.858555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.858555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.858555 (E_RNA)
where:
Base-Base interactions energy: -754.692
where: short stacking energy: -324.611
Base-Backbone interact. energy: -2.155
local terms energy: -335.011862
where:
bonds (distance) C4'-P energy: -63.223
bonds (distance) P-C4' energy: -62.045
flat angles C4'-P-C4' energy: -64.918
flat angles P-C4'-P energy: -53.440
tors. eta vs tors. theta energy: -91.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1087.119807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.119807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.119807 (E_RNA)
where:
Base-Base interactions energy: -769.380
where: short stacking energy: -316.225
Base-Backbone interact. energy: -0.844
local terms energy: -316.895614
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -52.071
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -49.153
tors. eta vs tors. theta energy: -92.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -965.040555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.040555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.040555 (E_RNA)
where:
Base-Base interactions energy: -675.708
where: short stacking energy: -291.264
Base-Backbone interact. energy: -1.373
local terms energy: -287.959973
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -47.650
flat angles C4'-P-C4' energy: -56.361
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -81.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -949.463034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.463034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.463034 (E_RNA)
where:
Base-Base interactions energy: -652.600
where: short stacking energy: -275.005
Base-Backbone interact. energy: -1.438
local terms energy: -295.425217
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -57.161
flat angles C4'-P-C4' energy: -68.225
flat angles P-C4'-P energy: -41.174
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -892.516413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.516413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.516413 (E_RNA)
where:
Base-Base interactions energy: -611.003
where: short stacking energy: -278.965
Base-Backbone interact. energy: -1.369
local terms energy: -280.144000
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -904.752652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.752652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.752652 (E_RNA)
where:
Base-Base interactions energy: -649.321
where: short stacking energy: -276.007
Base-Backbone interact. energy: 0.624
local terms energy: -256.056241
where:
bonds (distance) C4'-P energy: -52.468
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -55.410
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -79.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -793.121652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.121652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.121652 (E_RNA)
where:
Base-Base interactions energy: -547.518
where: short stacking energy: -217.348
Base-Backbone interact. energy: 0.288
local terms energy: -245.892059
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -60.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -582.996535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.996535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.996535 (E_RNA)
where:
Base-Base interactions energy: -374.882
where: short stacking energy: -159.027
Base-Backbone interact. energy: -2.122
local terms energy: -205.993182
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -58.046
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -494.507679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.507679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.507679 (E_RNA)
where:
Base-Base interactions energy: -299.983
where: short stacking energy: -162.688
Base-Backbone interact. energy: -1.301
local terms energy: -193.224422
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -55.427
flat angles C4'-P-C4' energy: -47.444
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -27.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1142.962591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.962591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.962591 (E_RNA)
where:
Base-Base interactions energy: -799.536
where: short stacking energy: -330.267
Base-Backbone interact. energy: -2.219
local terms energy: -341.207096
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -66.923
flat angles P-C4'-P energy: -47.321
tors. eta vs tors. theta energy: -96.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1099.019865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.019865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.019865 (E_RNA)
where:
Base-Base interactions energy: -773.423
where: short stacking energy: -335.996
Base-Backbone interact. energy: -1.506
local terms energy: -324.091028
where:
bonds (distance) C4'-P energy: -55.968
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -65.212
flat angles P-C4'-P energy: -46.949
tors. eta vs tors. theta energy: -97.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1096.342565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.342565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.342565 (E_RNA)
where:
Base-Base interactions energy: -780.786
where: short stacking energy: -326.278
Base-Backbone interact. energy: -0.938
local terms energy: -314.618412
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -61.362
flat angles C4'-P-C4' energy: -61.709
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -88.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -944.173067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.173067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.173067 (E_RNA)
where:
Base-Base interactions energy: -671.033
where: short stacking energy: -261.601
Base-Backbone interact. energy: -2.721
local terms energy: -270.418580
where:
bonds (distance) C4'-P energy: -61.889
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -62.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -970.102582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.102582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.102582 (E_RNA)
where:
Base-Base interactions energy: -675.253
where: short stacking energy: -300.644
Base-Backbone interact. energy: -1.739
local terms energy: -293.110114
where:
bonds (distance) C4'-P energy: -49.897
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -83.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -936.855176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.855176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.855176 (E_RNA)
where:
Base-Base interactions energy: -646.900
where: short stacking energy: -271.471
Base-Backbone interact. energy: -2.153
local terms energy: -287.802444
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -64.167
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -85.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -888.381421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.381421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.381421 (E_RNA)
where:
Base-Base interactions energy: -614.337
where: short stacking energy: -263.567
Base-Backbone interact. energy: 2.711
local terms energy: -276.754712
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -59.617
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -73.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -776.853561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.853561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.853561 (E_RNA)
where:
Base-Base interactions energy: -514.789
where: short stacking energy: -226.384
Base-Backbone interact. energy: -0.994
local terms energy: -261.070638
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -62.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -625.381864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.381864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.381864 (E_RNA)
where:
Base-Base interactions energy: -412.351
where: short stacking energy: -197.610
Base-Backbone interact. energy: -0.425
local terms energy: -212.605330
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -36.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -468.970678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.970678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.970678 (E_RNA)
where:
Base-Base interactions energy: -289.992
where: short stacking energy: -169.547
Base-Backbone interact. energy: -0.769
local terms energy: -178.209904
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -49.369
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1122.460209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.460209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.460209 (E_RNA)
where:
Base-Base interactions energy: -789.246
where: short stacking energy: -339.011
Base-Backbone interact. energy: -2.022
local terms energy: -331.192154
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -66.437
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -96.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1144.673612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.673612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.673612 (E_RNA)
where:
Base-Base interactions energy: -812.289
where: short stacking energy: -335.691
Base-Backbone interact. energy: -1.113
local terms energy: -331.271613
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -59.183
flat angles C4'-P-C4' energy: -67.643
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -96.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1098.935387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.935387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.935387 (E_RNA)
where:
Base-Base interactions energy: -788.247
where: short stacking energy: -321.805
Base-Backbone interact. energy: -0.229
local terms energy: -310.459671
where:
bonds (distance) C4'-P energy: -57.394
bonds (distance) P-C4' energy: -58.294
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -989.860509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.860509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.860509 (E_RNA)
where:
Base-Base interactions energy: -687.743
where: short stacking energy: -292.464
Base-Backbone interact. energy: -2.322
local terms energy: -299.795672
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -75.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -954.197830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.197830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.197830 (E_RNA)
where:
Base-Base interactions energy: -647.232
where: short stacking energy: -283.742
Base-Backbone interact. energy: 0.785
local terms energy: -307.750604
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -67.209
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -83.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -921.360042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.360042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.360042 (E_RNA)
where:
Base-Base interactions energy: -635.382
where: short stacking energy: -279.292
Base-Backbone interact. energy: -1.077
local terms energy: -284.900720
where:
bonds (distance) C4'-P energy: -57.288
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -61.512
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -80.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -875.843412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.843412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.843412 (E_RNA)
where:
Base-Base interactions energy: -609.823
where: short stacking energy: -278.777
Base-Backbone interact. energy: -0.274
local terms energy: -265.746803
where:
bonds (distance) C4'-P energy: -52.385
bonds (distance) P-C4' energy: -53.228
flat angles C4'-P-C4' energy: -52.205
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -70.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -770.670247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.670247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.670247 (E_RNA)
where:
Base-Base interactions energy: -514.279
where: short stacking energy: -237.455
Base-Backbone interact. energy: -1.138
local terms energy: -255.253532
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -67.760
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -63.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -551.907800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.907800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.907800 (E_RNA)
where:
Base-Base interactions energy: -339.424
where: short stacking energy: -167.314
Base-Backbone interact. energy: -1.510
local terms energy: -210.973334
where:
bonds (distance) C4'-P energy: -50.854
bonds (distance) P-C4' energy: -54.436
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -30.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -467.808525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.808525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.808525 (E_RNA)
where:
Base-Base interactions energy: -278.154
where: short stacking energy: -140.466
Base-Backbone interact. energy: -1.305
local terms energy: -188.348882
where:
bonds (distance) C4'-P energy: -40.147
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -54.085
flat angles P-C4'-P energy: -26.806
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1138.806590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.806590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.806590 (E_RNA)
where:
Base-Base interactions energy: -808.379
where: short stacking energy: -351.282
Base-Backbone interact. energy: 1.205
local terms energy: -331.633215
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -62.530
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -100.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1132.663497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.663497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.663497 (E_RNA)
where:
Base-Base interactions energy: -800.824
where: short stacking energy: -339.804
Base-Backbone interact. energy: -0.397
local terms energy: -331.442923
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -62.882
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -44.193
tors. eta vs tors. theta energy: -100.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1083.866227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.866227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.866227 (E_RNA)
where:
Base-Base interactions energy: -775.044
where: short stacking energy: -316.928
Base-Backbone interact. energy: 4.383
local terms energy: -313.204757
where:
bonds (distance) C4'-P energy: -50.563
bonds (distance) P-C4' energy: -70.432
flat angles C4'-P-C4' energy: -62.111
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -83.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -953.169426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.169426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.169426 (E_RNA)
where:
Base-Base interactions energy: -661.442
where: short stacking energy: -272.212
Base-Backbone interact. energy: -0.322
local terms energy: -291.405000
where:
bonds (distance) C4'-P energy: -58.959
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -63.504
flat angles P-C4'-P energy: -34.306
tors. eta vs tors. theta energy: -79.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -992.390665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.390665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.390665 (E_RNA)
where:
Base-Base interactions energy: -680.219
where: short stacking energy: -309.324
Base-Backbone interact. energy: -0.990
local terms energy: -311.182053
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -60.496
flat angles C4'-P-C4' energy: -58.844
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -92.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -926.890790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.890790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.890790 (E_RNA)
where:
Base-Base interactions energy: -655.286
where: short stacking energy: -291.642
Base-Backbone interact. energy: -0.910
local terms energy: -270.695728
where:
bonds (distance) C4'-P energy: -45.694
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -80.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -866.488480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.488480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.488480 (E_RNA)
where:
Base-Base interactions energy: -574.031
where: short stacking energy: -260.154
Base-Backbone interact. energy: -0.923
local terms energy: -291.534802
where:
bonds (distance) C4'-P energy: -61.220
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -34.076
tors. eta vs tors. theta energy: -76.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -758.536912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.536912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.536912 (E_RNA)
where:
Base-Base interactions energy: -505.046
where: short stacking energy: -224.260
Base-Backbone interact. energy: 0.987
local terms energy: -254.477739
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -67.941
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -56.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -549.636040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.636040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.636040 (E_RNA)
where:
Base-Base interactions energy: -332.855
where: short stacking energy: -165.074
Base-Backbone interact. energy: 0.563
local terms energy: -217.343917
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -54.013
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -24.478
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -487.043234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.043234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.043234 (E_RNA)
where:
Base-Base interactions energy: -269.811
where: short stacking energy: -139.499
Base-Backbone interact. energy: -1.567
local terms energy: -215.665262
where:
bonds (distance) C4'-P energy: -53.203
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -51.159
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1159.263919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.263919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.263919 (E_RNA)
where:
Base-Base interactions energy: -824.262
where: short stacking energy: -348.642
Base-Backbone interact. energy: 1.973
local terms energy: -336.974806
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -77.539
flat angles P-C4'-P energy: -45.342
tors. eta vs tors. theta energy: -101.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1101.503351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.503351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.503351 (E_RNA)
where:
Base-Base interactions energy: -763.128
where: short stacking energy: -335.642
Base-Backbone interact. energy: -0.913
local terms energy: -337.462140
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -58.668
flat angles C4'-P-C4' energy: -69.314
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -95.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1071.771731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.771731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.771731 (E_RNA)
where:
Base-Base interactions energy: -761.590
where: short stacking energy: -306.729
Base-Backbone interact. energy: -2.854
local terms energy: -307.327895
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -60.983
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -83.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -939.691487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.691487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.691487 (E_RNA)
where:
Base-Base interactions energy: -635.226
where: short stacking energy: -260.212
Base-Backbone interact. energy: -2.526
local terms energy: -301.939838
where:
bonds (distance) C4'-P energy: -62.914
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -63.054
flat angles P-C4'-P energy: -46.603
tors. eta vs tors. theta energy: -72.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -952.110048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.110048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.110048 (E_RNA)
where:
Base-Base interactions energy: -670.118
where: short stacking energy: -287.068
Base-Backbone interact. energy: -1.156
local terms energy: -280.835842
where:
bonds (distance) C4'-P energy: -51.942
bonds (distance) P-C4' energy: -60.612
flat angles C4'-P-C4' energy: -49.554
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -78.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -965.498709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.498709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.498709 (E_RNA)
where:
Base-Base interactions energy: -658.374
where: short stacking energy: -295.967
Base-Backbone interact. energy: -0.636
local terms energy: -306.488366
where:
bonds (distance) C4'-P energy: -56.915
bonds (distance) P-C4' energy: -59.517
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -92.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -861.309036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.309036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.309036 (E_RNA)
where:
Base-Base interactions energy: -590.545
where: short stacking energy: -258.664
Base-Backbone interact. energy: 0.176
local terms energy: -270.940336
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -68.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -748.600814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.600814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.600814 (E_RNA)
where:
Base-Base interactions energy: -491.306
where: short stacking energy: -218.837
Base-Backbone interact. energy: -0.828
local terms energy: -256.466214
where:
bonds (distance) C4'-P energy: -52.713
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -59.865
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -583.929115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.929115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.929115 (E_RNA)
where:
Base-Base interactions energy: -360.752
where: short stacking energy: -162.642
Base-Backbone interact. energy: -0.725
local terms energy: -222.452617
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -48.450
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -30.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -440.686634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.686634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.686634 (E_RNA)
where:
Base-Base interactions energy: -254.550
where: short stacking energy: -127.826
Base-Backbone interact. energy: -0.039
local terms energy: -186.097794
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -52.624
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -31.591
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1150.038539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.038539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.038539 (E_RNA)
where:
Base-Base interactions energy: -806.667
where: short stacking energy: -346.163
Base-Backbone interact. energy: -1.238
local terms energy: -342.133728
where:
bonds (distance) C4'-P energy: -63.178
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -67.531
flat angles P-C4'-P energy: -45.948
tors. eta vs tors. theta energy: -105.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1094.940435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.940435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.940435 (E_RNA)
where:
Base-Base interactions energy: -767.060
where: short stacking energy: -327.023
Base-Backbone interact. energy: -2.481
local terms energy: -325.399399
where:
bonds (distance) C4'-P energy: -61.845
bonds (distance) P-C4' energy: -58.782
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -93.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1072.196352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.196352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.196352 (E_RNA)
where:
Base-Base interactions energy: -779.801
where: short stacking energy: -313.127
Base-Backbone interact. energy: -1.550
local terms energy: -290.845035
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -49.714
flat angles C4'-P-C4' energy: -63.423
flat angles P-C4'-P energy: -51.734
tors. eta vs tors. theta energy: -81.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -963.299715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.299715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.299715 (E_RNA)
where:
Base-Base interactions energy: -680.890
where: short stacking energy: -290.688
Base-Backbone interact. energy: -0.553
local terms energy: -281.857301
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -64.703
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -76.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -937.924998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.924998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.924998 (E_RNA)
where:
Base-Base interactions energy: -643.540
where: short stacking energy: -279.554
Base-Backbone interact. energy: -1.332
local terms energy: -293.052594
where:
bonds (distance) C4'-P energy: -59.029
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -74.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -975.464556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.464556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.464556 (E_RNA)
where:
Base-Base interactions energy: -692.001
where: short stacking energy: -315.108
Base-Backbone interact. energy: -0.502
local terms energy: -282.961284
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -51.498
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -90.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -888.130167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.130167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.130167 (E_RNA)
where:
Base-Base interactions energy: -612.557
where: short stacking energy: -261.133
Base-Backbone interact. energy: -2.049
local terms energy: -273.524424
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -43.412
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -666.058834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.058834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.058834 (E_RNA)
where:
Base-Base interactions energy: -444.004
where: short stacking energy: -201.474
Base-Backbone interact. energy: 1.438
local terms energy: -223.492297
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -49.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -675.081048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.081048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.081048 (E_RNA)
where:
Base-Base interactions energy: -458.073
where: short stacking energy: -211.981
Base-Backbone interact. energy: 0.178
local terms energy: -217.185758
where:
bonds (distance) C4'-P energy: -54.785
bonds (distance) P-C4' energy: -53.870
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -41.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -440.797302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.797302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.797302 (E_RNA)
where:
Base-Base interactions energy: -241.140
where: short stacking energy: -141.487
Base-Backbone interact. energy: -1.858
local terms energy: -197.800132
where:
bonds (distance) C4'-P energy: -39.319
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1135.753958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.753958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.753958 (E_RNA)
where:
Base-Base interactions energy: -802.701
where: short stacking energy: -343.888
Base-Backbone interact. energy: -1.638
local terms energy: -331.415103
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -64.145
flat angles C4'-P-C4' energy: -68.724
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -105.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1091.451264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.451264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.451264 (E_RNA)
where:
Base-Base interactions energy: -771.929
where: short stacking energy: -316.314
Base-Backbone interact. energy: -1.122
local terms energy: -318.400365
where:
bonds (distance) C4'-P energy: -56.646
bonds (distance) P-C4' energy: -56.416
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -96.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1078.571751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.571751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.571751 (E_RNA)
where:
Base-Base interactions energy: -776.503
where: short stacking energy: -311.996
Base-Backbone interact. energy: -1.628
local terms energy: -300.440826
where:
bonds (distance) C4'-P energy: -57.892
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: -80.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -956.688673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.688673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.688673 (E_RNA)
where:
Base-Base interactions energy: -663.316
where: short stacking energy: -272.822
Base-Backbone interact. energy: -0.873
local terms energy: -292.499483
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -63.271
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -75.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -955.585955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.585955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.585955 (E_RNA)
where:
Base-Base interactions energy: -654.152
where: short stacking energy: -278.851
Base-Backbone interact. energy: -0.412
local terms energy: -301.021885
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -77.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -914.349138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.349138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.349138 (E_RNA)
where:
Base-Base interactions energy: -615.228
where: short stacking energy: -279.580
Base-Backbone interact. energy: -1.563
local terms energy: -297.559010
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -70.280
flat angles P-C4'-P energy: -43.184
tors. eta vs tors. theta energy: -75.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -894.514378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.514378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.514378 (E_RNA)
where:
Base-Base interactions energy: -628.666
where: short stacking energy: -274.045
Base-Backbone interact. energy: -1.455
local terms energy: -264.393849
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -52.329
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -37.437
tors. eta vs tors. theta energy: -79.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -697.061125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.061125 (E_RNA)
where:
Base-Base interactions energy: -437.821
where: short stacking energy: -183.171
Base-Backbone interact. energy: -0.154
local terms energy: -259.085907
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -53.496
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -50.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -711.897801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.897801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.897801 (E_RNA)
where:
Base-Base interactions energy: -493.738
where: short stacking energy: -213.992
Base-Backbone interact. energy: -0.486
local terms energy: -217.674221
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -42.914
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -42.121
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -420.052493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.052493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.052493 (E_RNA)
where:
Base-Base interactions energy: -237.040
where: short stacking energy: -121.768
Base-Backbone interact. energy: -1.472
local terms energy: -181.540997
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1154.939991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.939991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.939991 (E_RNA)
where:
Base-Base interactions energy: -808.543
where: short stacking energy: -339.894
Base-Backbone interact. energy: -0.885
local terms energy: -345.511544
where:
bonds (distance) C4'-P energy: -62.025
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: -102.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1089.835226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.835226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.835226 (E_RNA)
where:
Base-Base interactions energy: -780.722
where: short stacking energy: -308.160
Base-Backbone interact. energy: -1.766
local terms energy: -307.346789
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -56.227
flat angles C4'-P-C4' energy: -69.157
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -90.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1070.322368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.322368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.322368 (E_RNA)
where:
Base-Base interactions energy: -759.532
where: short stacking energy: -316.018
Base-Backbone interact. energy: -2.138
local terms energy: -308.652490
where:
bonds (distance) C4'-P energy: -58.950
bonds (distance) P-C4' energy: -59.708
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -980.762544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.762544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.762544 (E_RNA)
where:
Base-Base interactions energy: -683.800
where: short stacking energy: -302.091
Base-Backbone interact. energy: -3.995
local terms energy: -292.968381
where:
bonds (distance) C4'-P energy: -68.400
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: -86.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -951.530147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.530147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.530147 (E_RNA)
where:
Base-Base interactions energy: -647.685
where: short stacking energy: -263.485
Base-Backbone interact. energy: -1.246
local terms energy: -302.598902
where:
bonds (distance) C4'-P energy: -63.085
bonds (distance) P-C4' energy: -60.732
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -72.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -926.912367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.912367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.912367 (E_RNA)
where:
Base-Base interactions energy: -631.250
where: short stacking energy: -272.435
Base-Backbone interact. energy: 0.157
local terms energy: -295.819012
where:
bonds (distance) C4'-P energy: -59.131
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -85.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -887.551622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.551622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.551622 (E_RNA)
where:
Base-Base interactions energy: -600.846
where: short stacking energy: -264.239
Base-Backbone interact. energy: -0.630
local terms energy: -286.075733
where:
bonds (distance) C4'-P energy: -54.468
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -55.864
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -72.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -717.374796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.374796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.374796 (E_RNA)
where:
Base-Base interactions energy: -477.397
where: short stacking energy: -218.064
Base-Backbone interact. energy: -1.377
local terms energy: -238.600072
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -59.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -659.581858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.581858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.581858 (E_RNA)
where:
Base-Base interactions energy: -439.634
where: short stacking energy: -195.040
Base-Backbone interact. energy: 0.115
local terms energy: -220.062373
where:
bonds (distance) C4'-P energy: -50.898
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -396.381848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.381848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.381848 (E_RNA)
where:
Base-Base interactions energy: -194.026
where: short stacking energy: -107.171
Base-Backbone interact. energy: -0.921
local terms energy: -201.434999
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -55.809
flat angles C4'-P-C4' energy: -60.864
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1137.482016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.482016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.482016 (E_RNA)
where:
Base-Base interactions energy: -809.380
where: short stacking energy: -336.264
Base-Backbone interact. energy: -0.165
local terms energy: -327.937546
where:
bonds (distance) C4'-P energy: -66.487
bonds (distance) P-C4' energy: -67.732
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: -102.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1113.103055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.103055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.103055 (E_RNA)
where:
Base-Base interactions energy: -781.015
where: short stacking energy: -334.430
Base-Backbone interact. energy: -1.362
local terms energy: -330.726114
where:
bonds (distance) C4'-P energy: -65.687
bonds (distance) P-C4' energy: -60.657
flat angles C4'-P-C4' energy: -66.432
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -97.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1064.397403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.397403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.397403 (E_RNA)
where:
Base-Base interactions energy: -747.524
where: short stacking energy: -303.348
Base-Backbone interact. energy: 0.141
local terms energy: -317.015170
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -66.049
flat angles P-C4'-P energy: -50.716
tors. eta vs tors. theta energy: -83.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -989.922443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.922443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.922443 (E_RNA)
where:
Base-Base interactions energy: -682.078
where: short stacking energy: -290.558
Base-Backbone interact. energy: -1.966
local terms energy: -305.877879
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -65.436
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -80.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -986.828090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.828090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.828090 (E_RNA)
where:
Base-Base interactions energy: -686.365
where: short stacking energy: -307.611
Base-Backbone interact. energy: 3.169
local terms energy: -303.632396
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -66.070
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -92.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -919.445259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.445259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.445259 (E_RNA)
where:
Base-Base interactions energy: -617.689
where: short stacking energy: -262.811
Base-Backbone interact. energy: -0.289
local terms energy: -301.467339
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -57.656
flat angles C4'-P-C4' energy: -66.866
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -878.312161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.312161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.312161 (E_RNA)
where:
Base-Base interactions energy: -621.720
where: short stacking energy: -255.783
Base-Backbone interact. energy: 0.246
local terms energy: -256.838008
where:
bonds (distance) C4'-P energy: -50.410
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -735.326529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.326529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.326529 (E_RNA)
where:
Base-Base interactions energy: -493.071
where: short stacking energy: -231.630
Base-Backbone interact. energy: -0.349
local terms energy: -241.905790
where:
bonds (distance) C4'-P energy: -51.505
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -53.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -659.511835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.511835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.511835 (E_RNA)
where:
Base-Base interactions energy: -422.956
where: short stacking energy: -204.570
Base-Backbone interact. energy: -1.872
local terms energy: -234.683859
where:
bonds (distance) C4'-P energy: -43.132
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -54.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -408.168618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.168618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.168618 (E_RNA)
where:
Base-Base interactions energy: -229.612
where: short stacking energy: -132.554
Base-Backbone interact. energy: -1.983
local terms energy: -176.573462
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -43.758
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1140.389248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.389248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.389248 (E_RNA)
where:
Base-Base interactions energy: -810.529
where: short stacking energy: -356.090
Base-Backbone interact. energy: -0.869
local terms energy: -328.990761
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -69.232
flat angles P-C4'-P energy: -52.605
tors. eta vs tors. theta energy: -103.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1109.889836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.889836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.889836 (E_RNA)
where:
Base-Base interactions energy: -777.291
where: short stacking energy: -328.895
Base-Backbone interact. energy: -0.455
local terms energy: -332.143622
where:
bonds (distance) C4'-P energy: -58.536
bonds (distance) P-C4' energy: -56.529
flat angles C4'-P-C4' energy: -69.464
flat angles P-C4'-P energy: -52.542
tors. eta vs tors. theta energy: -95.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1056.941829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.941829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.941829 (E_RNA)
where:
Base-Base interactions energy: -752.514
where: short stacking energy: -313.591
Base-Backbone interact. energy: -1.407
local terms energy: -303.021115
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -58.084
flat angles C4'-P-C4' energy: -66.775
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -94.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1005.720644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.720644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.720644 (E_RNA)
where:
Base-Base interactions energy: -699.811
where: short stacking energy: -302.481
Base-Backbone interact. energy: -0.325
local terms energy: -305.584531
where:
bonds (distance) C4'-P energy: -61.511
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -83.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -969.795150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.795150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.795150 (E_RNA)
where:
Base-Base interactions energy: -677.254
where: short stacking energy: -299.786
Base-Backbone interact. energy: -1.925
local terms energy: -290.615211
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -55.923
flat angles C4'-P-C4' energy: -56.414
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -914.522373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.522373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.522373 (E_RNA)
where:
Base-Base interactions energy: -621.013
where: short stacking energy: -264.128
Base-Backbone interact. energy: -2.214
local terms energy: -291.296036
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -49.899
flat angles C4'-P-C4' energy: -64.246
flat angles P-C4'-P energy: -46.895
tors. eta vs tors. theta energy: -75.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -892.337531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.337531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.337531 (E_RNA)
where:
Base-Base interactions energy: -608.941
where: short stacking energy: -266.917
Base-Backbone interact. energy: -0.881
local terms energy: -282.516506
where:
bonds (distance) C4'-P energy: -43.965
bonds (distance) P-C4' energy: -60.875
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -72.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -773.989584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.989584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.989584 (E_RNA)
where:
Base-Base interactions energy: -521.044
where: short stacking energy: -239.364
Base-Backbone interact. energy: 2.956
local terms energy: -255.901408
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -62.140
flat angles C4'-P-C4' energy: -56.532
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -55.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -653.493965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.493965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.493965 (E_RNA)
where:
Base-Base interactions energy: -417.027
where: short stacking energy: -204.303
Base-Backbone interact. energy: 1.578
local terms energy: -238.044406
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -52.237
flat angles C4'-P-C4' energy: -54.295
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -51.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -412.109136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.109136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.109136 (E_RNA)
where:
Base-Base interactions energy: -232.287
where: short stacking energy: -134.066
Base-Backbone interact. energy: -1.274
local terms energy: -178.548140
where:
bonds (distance) C4'-P energy: -52.216
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -36.627
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1133.194593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.194593 (E_RNA)
where:
Base-Base interactions energy: -801.092
where: short stacking energy: -338.118
Base-Backbone interact. energy: -0.757
local terms energy: -331.345136
where:
bonds (distance) C4'-P energy: -70.442
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -52.997
tors. eta vs tors. theta energy: -99.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1125.602463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.602463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.602463 (E_RNA)
where:
Base-Base interactions energy: -784.515
where: short stacking energy: -345.702
Base-Backbone interact. energy: -1.146
local terms energy: -339.941594
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -67.393
flat angles C4'-P-C4' energy: -66.962
flat angles P-C4'-P energy: -43.089
tors. eta vs tors. theta energy: -102.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1075.440660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.440660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.440660 (E_RNA)
where:
Base-Base interactions energy: -766.577
where: short stacking energy: -317.501
Base-Backbone interact. energy: -0.112
local terms energy: -308.751238
where:
bonds (distance) C4'-P energy: -59.453
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -45.331
tors. eta vs tors. theta energy: -86.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1003.190808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.190808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.190808 (E_RNA)
where:
Base-Base interactions energy: -688.719
where: short stacking energy: -303.413
Base-Backbone interact. energy: -0.865
local terms energy: -313.607143
where:
bonds (distance) C4'-P energy: -62.342
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -40.477
tors. eta vs tors. theta energy: -86.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -946.951269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.951269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.951269 (E_RNA)
where:
Base-Base interactions energy: -646.862
where: short stacking energy: -278.087
Base-Backbone interact. energy: 3.804
local terms energy: -303.893856
where:
bonds (distance) C4'-P energy: -57.746
bonds (distance) P-C4' energy: -58.306
flat angles C4'-P-C4' energy: -62.359
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -82.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -941.216321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.216321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.216321 (E_RNA)
where:
Base-Base interactions energy: -663.723
where: short stacking energy: -284.703
Base-Backbone interact. energy: -2.474
local terms energy: -275.019740
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -48.068
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: -79.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -893.186116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.186116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.186116 (E_RNA)
where:
Base-Base interactions energy: -614.405
where: short stacking energy: -258.566
Base-Backbone interact. energy: -0.424
local terms energy: -278.357057
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: -72.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -758.745894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.745894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.745894 (E_RNA)
where:
Base-Base interactions energy: -511.418
where: short stacking energy: -226.748
Base-Backbone interact. energy: -2.054
local terms energy: -245.274678
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -49.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -623.396940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.396940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.396940 (E_RNA)
where:
Base-Base interactions energy: -414.753
where: short stacking energy: -188.223
Base-Backbone interact. energy: -1.220
local terms energy: -207.424628
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -48.239
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -34.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -427.931736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.931736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.931736 (E_RNA)
where:
Base-Base interactions energy: -274.380
where: short stacking energy: -143.078
Base-Backbone interact. energy: -1.049
local terms energy: -152.503054
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1132.937819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.937819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.937819 (E_RNA)
where:
Base-Base interactions energy: -778.255
where: short stacking energy: -335.921
Base-Backbone interact. energy: -1.575
local terms energy: -353.107029
where:
bonds (distance) C4'-P energy: -60.656
bonds (distance) P-C4' energy: -72.274
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -95.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1120.565565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.565565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.565565 (E_RNA)
where:
Base-Base interactions energy: -807.718
where: short stacking energy: -347.069
Base-Backbone interact. energy: -1.410
local terms energy: -311.437580
where:
bonds (distance) C4'-P energy: -58.069
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -97.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1053.060658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.060658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.060658 (E_RNA)
where:
Base-Base interactions energy: -736.056
where: short stacking energy: -309.422
Base-Backbone interact. energy: -1.932
local terms energy: -315.072168
where:
bonds (distance) C4'-P energy: -57.646
bonds (distance) P-C4' energy: -58.767
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -90.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1016.737886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.737886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.737886 (E_RNA)
where:
Base-Base interactions energy: -684.659
where: short stacking energy: -306.012
Base-Backbone interact. energy: -0.083
local terms energy: -331.995521
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -59.880
flat angles C4'-P-C4' energy: -67.624
flat angles P-C4'-P energy: -45.770
tors. eta vs tors. theta energy: -90.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -947.280360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.280360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.280360 (E_RNA)
where:
Base-Base interactions energy: -653.901
where: short stacking energy: -287.609
Base-Backbone interact. energy: 1.392
local terms energy: -294.771198
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -61.839
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: -89.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -927.857909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.857909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.857909 (E_RNA)
where:
Base-Base interactions energy: -650.635
where: short stacking energy: -267.463
Base-Backbone interact. energy: -1.627
local terms energy: -275.595836
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -58.336
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -75.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -905.174581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.174581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.174581 (E_RNA)
where:
Base-Base interactions energy: -626.890
where: short stacking energy: -273.744
Base-Backbone interact. energy: -0.741
local terms energy: -277.542685
where:
bonds (distance) C4'-P energy: -54.370
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -60.853
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: -74.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -757.616399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.616399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.616399 (E_RNA)
where:
Base-Base interactions energy: -509.609
where: short stacking energy: -217.942
Base-Backbone interact. energy: -0.184
local terms energy: -247.823195
where:
bonds (distance) C4'-P energy: -54.583
bonds (distance) P-C4' energy: -53.304
flat angles C4'-P-C4' energy: -53.205
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -47.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -661.728489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.728489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.728489 (E_RNA)
where:
Base-Base interactions energy: -437.733
where: short stacking energy: -184.992
Base-Backbone interact. energy: -1.511
local terms energy: -222.485214
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -54.708
flat angles P-C4'-P energy: -34.205
tors. eta vs tors. theta energy: -39.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -409.546053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.546053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.546053 (E_RNA)
where:
Base-Base interactions energy: -229.606
where: short stacking energy: -107.721
Base-Backbone interact. energy: 1.799
local terms energy: -181.739366
where:
bonds (distance) C4'-P energy: -49.980
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1135.767503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.767503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.767503 (E_RNA)
where:
Base-Base interactions energy: -810.824
where: short stacking energy: -358.936
Base-Backbone interact. energy: -0.255
local terms energy: -324.688587
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -60.395
flat angles C4'-P-C4' energy: -67.263
flat angles P-C4'-P energy: -48.204
tors. eta vs tors. theta energy: -101.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1140.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.912087 (E_RNA)
where:
Base-Base interactions energy: -802.526
where: short stacking energy: -338.121
Base-Backbone interact. energy: -2.808
local terms energy: -335.578135
where:
bonds (distance) C4'-P energy: -58.861
bonds (distance) P-C4' energy: -64.048
flat angles C4'-P-C4' energy: -71.570
flat angles P-C4'-P energy: -38.449
tors. eta vs tors. theta energy: -102.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1094.997064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.997064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.997064 (E_RNA)
where:
Base-Base interactions energy: -780.926
where: short stacking energy: -335.537
Base-Backbone interact. energy: -1.107
local terms energy: -312.964513
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -59.341
flat angles C4'-P-C4' energy: -61.598
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -92.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1032.099411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.099411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.099411 (E_RNA)
where:
Base-Base interactions energy: -707.692
where: short stacking energy: -329.724
Base-Backbone interact. energy: -1.328
local terms energy: -323.079687
where:
bonds (distance) C4'-P energy: -57.274
bonds (distance) P-C4' energy: -59.066
flat angles C4'-P-C4' energy: -68.894
flat angles P-C4'-P energy: -44.829
tors. eta vs tors. theta energy: -93.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -951.880427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.880427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.880427 (E_RNA)
where:
Base-Base interactions energy: -655.702
where: short stacking energy: -293.700
Base-Backbone interact. energy: 1.024
local terms energy: -297.202801
where:
bonds (distance) C4'-P energy: -52.192
bonds (distance) P-C4' energy: -54.740
flat angles C4'-P-C4' energy: -65.808
flat angles P-C4'-P energy: -48.254
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -912.631932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.631932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.631932 (E_RNA)
where:
Base-Base interactions energy: -624.931
where: short stacking energy: -274.508
Base-Backbone interact. energy: -1.587
local terms energy: -286.114548
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -60.397
flat angles P-C4'-P energy: -44.535
tors. eta vs tors. theta energy: -79.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -919.425351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.425351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.425351 (E_RNA)
where:
Base-Base interactions energy: -635.230
where: short stacking energy: -263.078
Base-Backbone interact. energy: -0.294
local terms energy: -283.900853
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -79.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -725.224909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.224909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.224909 (E_RNA)
where:
Base-Base interactions energy: -500.887
where: short stacking energy: -194.930
Base-Backbone interact. energy: -1.609
local terms energy: -222.728692
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -661.874856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.874856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.874856 (E_RNA)
where:
Base-Base interactions energy: -420.925
where: short stacking energy: -183.796
Base-Backbone interact. energy: -1.407
local terms energy: -239.543314
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -55.222
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -38.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -430.490754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.490754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.490754 (E_RNA)
where:
Base-Base interactions energy: -256.881
where: short stacking energy: -126.675
Base-Backbone interact. energy: 1.437
local terms energy: -175.047156
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -51.295
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1138.434534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.434534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.434534 (E_RNA)
where:
Base-Base interactions energy: -811.123
where: short stacking energy: -356.337
Base-Backbone interact. energy: -0.947
local terms energy: -326.364013
where:
bonds (distance) C4'-P energy: -58.398
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -72.200
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -97.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1134.195294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.195294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.195294 (E_RNA)
where:
Base-Base interactions energy: -801.800
where: short stacking energy: -338.393
Base-Backbone interact. energy: -3.049
local terms energy: -329.345806
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -64.881
flat angles C4'-P-C4' energy: -62.626
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -103.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1095.278779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.278779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.278779 (E_RNA)
where:
Base-Base interactions energy: -778.371
where: short stacking energy: -326.515
Base-Backbone interact. energy: -0.820
local terms energy: -316.088202
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -60.037
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -93.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1031.271203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.271203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.271203 (E_RNA)
where:
Base-Base interactions energy: -705.285
where: short stacking energy: -324.474
Base-Backbone interact. energy: 2.478
local terms energy: -328.464366
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -45.524
tors. eta vs tors. theta energy: -102.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -960.667209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.667209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.667209 (E_RNA)
where:
Base-Base interactions energy: -669.598
where: short stacking energy: -272.009
Base-Backbone interact. energy: -1.351
local terms energy: -289.718983
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -51.289
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -83.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -923.512641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.512641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.512641 (E_RNA)
where:
Base-Base interactions energy: -631.148
where: short stacking energy: -276.633
Base-Backbone interact. energy: -1.237
local terms energy: -291.127940
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -69.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -871.306083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.306083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.306083 (E_RNA)
where:
Base-Base interactions energy: -611.289
where: short stacking energy: -260.251
Base-Backbone interact. energy: -1.423
local terms energy: -258.594356
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -49.251
flat angles C4'-P-C4' energy: -55.378
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -70.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -693.241667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.241667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.241667 (E_RNA)
where:
Base-Base interactions energy: -442.305
where: short stacking energy: -196.154
Base-Backbone interact. energy: -0.984
local terms energy: -249.952912
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -60.932
flat angles C4'-P-C4' energy: -56.731
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: -47.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -695.481630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.481630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.481630 (E_RNA)
where:
Base-Base interactions energy: -469.913
where: short stacking energy: -184.052
Base-Backbone interact. energy: -3.248
local terms energy: -222.320554
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -37.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -400.865629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.865629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.865629 (E_RNA)
where:
Base-Base interactions energy: -224.736
where: short stacking energy: -129.931
Base-Backbone interact. energy: -0.095
local terms energy: -176.035597
where:
bonds (distance) C4'-P energy: -41.652
bonds (distance) P-C4' energy: -50.355
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1132.737874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.737874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.737874 (E_RNA)
where:
Base-Base interactions energy: -793.284
where: short stacking energy: -332.979
Base-Backbone interact. energy: -0.834
local terms energy: -338.620102
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -70.122
flat angles C4'-P-C4' energy: -74.142
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -96.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1129.051853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.051853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.051853 (E_RNA)
where:
Base-Base interactions energy: -810.406
where: short stacking energy: -342.475
Base-Backbone interact. energy: 0.089
local terms energy: -318.735648
where:
bonds (distance) C4'-P energy: -59.801
bonds (distance) P-C4' energy: -52.341
flat angles C4'-P-C4' energy: -68.636
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -100.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1066.287995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.287995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.287995 (E_RNA)
where:
Base-Base interactions energy: -759.781
where: short stacking energy: -304.218
Base-Backbone interact. energy: -1.923
local terms energy: -304.584495
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -66.799
flat angles C4'-P-C4' energy: -59.065
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -84.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1021.134117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.134117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.134117 (E_RNA)
where:
Base-Base interactions energy: -707.175
where: short stacking energy: -314.723
Base-Backbone interact. energy: -0.849
local terms energy: -313.110376
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -91.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -961.160305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.160305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.160305 (E_RNA)
where:
Base-Base interactions energy: -681.174
where: short stacking energy: -279.480
Base-Backbone interact. energy: -0.545
local terms energy: -279.441610
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -41.524
tors. eta vs tors. theta energy: -82.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -928.266072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.266072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.266072 (E_RNA)
where:
Base-Base interactions energy: -637.883
where: short stacking energy: -275.083
Base-Backbone interact. energy: -0.945
local terms energy: -289.438051
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -75.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -832.575158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.575158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.575158 (E_RNA)
where:
Base-Base interactions energy: -558.625
where: short stacking energy: -246.516
Base-Backbone interact. energy: 0.030
local terms energy: -273.980169
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -63.579
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -65.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -712.745979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.745979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.745979 (E_RNA)
where:
Base-Base interactions energy: -470.158
where: short stacking energy: -207.162
Base-Backbone interact. energy: -0.675
local terms energy: -241.912479
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -52.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -687.282426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.282426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.282426 (E_RNA)
where:
Base-Base interactions energy: -464.300
where: short stacking energy: -184.389
Base-Backbone interact. energy: 0.174
local terms energy: -223.155973
where:
bonds (distance) C4'-P energy: -38.644
bonds (distance) P-C4' energy: -54.377
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -38.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -413.537713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.537713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.537713 (E_RNA)
where:
Base-Base interactions energy: -222.208
where: short stacking energy: -123.103
Base-Backbone interact. energy: 1.233
local terms energy: -192.563116
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1146.014712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.014712 (E_RNA)
where:
Base-Base interactions energy: -804.233
where: short stacking energy: -337.178
Base-Backbone interact. energy: -0.250
local terms energy: -341.532014
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -66.272
flat angles C4'-P-C4' energy: -73.508
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -103.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1139.685070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.685070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.685070 (E_RNA)
where:
Base-Base interactions energy: -806.314
where: short stacking energy: -351.530
Base-Backbone interact. energy: -1.227
local terms energy: -332.144660
where:
bonds (distance) C4'-P energy: -49.814
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -71.421
flat angles P-C4'-P energy: -49.285
tors. eta vs tors. theta energy: -107.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1074.598854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.598854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.598854 (E_RNA)
where:
Base-Base interactions energy: -755.844
where: short stacking energy: -306.841
Base-Backbone interact. energy: -1.264
local terms energy: -317.491052
where:
bonds (distance) C4'-P energy: -56.441
bonds (distance) P-C4' energy: -60.613
flat angles C4'-P-C4' energy: -65.305
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -89.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1011.976287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.976287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.976287 (E_RNA)
where:
Base-Base interactions energy: -715.311
where: short stacking energy: -304.644
Base-Backbone interact. energy: -0.275
local terms energy: -296.389694
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -88.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -935.801194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.801194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.801194 (E_RNA)
where:
Base-Base interactions energy: -627.443
where: short stacking energy: -269.609
Base-Backbone interact. energy: -0.289
local terms energy: -308.068758
where:
bonds (distance) C4'-P energy: -57.650
bonds (distance) P-C4' energy: -59.366
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: -79.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -931.029975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.029975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.029975 (E_RNA)
where:
Base-Base interactions energy: -655.022
where: short stacking energy: -277.091
Base-Backbone interact. energy: -0.710
local terms energy: -275.298010
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -62.215
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -78.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -801.118039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.118039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.118039 (E_RNA)
where:
Base-Base interactions energy: -555.375
where: short stacking energy: -242.702
Base-Backbone interact. energy: 0.406
local terms energy: -246.149192
where:
bonds (distance) C4'-P energy: -35.162
bonds (distance) P-C4' energy: -49.353
flat angles C4'-P-C4' energy: -53.605
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -61.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -721.192823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.192823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.192823 (E_RNA)
where:
Base-Base interactions energy: -502.336
where: short stacking energy: -228.539
Base-Backbone interact. energy: -1.724
local terms energy: -217.133339
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -48.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -660.129057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.129057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.129057 (E_RNA)
where:
Base-Base interactions energy: -424.535
where: short stacking energy: -184.199
Base-Backbone interact. energy: 0.724
local terms energy: -236.317816
where:
bonds (distance) C4'-P energy: -61.705
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -39.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -415.842044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.842044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.842044 (E_RNA)
where:
Base-Base interactions energy: -227.384
where: short stacking energy: -142.351
Base-Backbone interact. energy: -0.105
local terms energy: -188.353178
where:
bonds (distance) C4'-P energy: -56.661
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -47.663
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1132.021489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.021489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.021489 (E_RNA)
where:
Base-Base interactions energy: -808.887
where: short stacking energy: -348.886
Base-Backbone interact. energy: -0.931
local terms energy: -322.202826
where:
bonds (distance) C4'-P energy: -65.465
bonds (distance) P-C4' energy: -61.282
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: -98.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1119.602701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.602701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.602701 (E_RNA)
where:
Base-Base interactions energy: -776.197
where: short stacking energy: -333.126
Base-Backbone interact. energy: -0.301
local terms energy: -343.104612
where:
bonds (distance) C4'-P energy: -61.629
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -69.894
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -99.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1039.239760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.239760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.239760 (E_RNA)
where:
Base-Base interactions energy: -711.918
where: short stacking energy: -313.120
Base-Backbone interact. energy: -1.072
local terms energy: -326.249945
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -65.186
flat angles C4'-P-C4' energy: -67.665
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -89.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1056.177043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.177043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.177043 (E_RNA)
where:
Base-Base interactions energy: -753.522
where: short stacking energy: -302.581
Base-Backbone interact. energy: 1.693
local terms energy: -304.348204
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -68.057
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -85.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -967.050099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.050099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.050099 (E_RNA)
where:
Base-Base interactions energy: -664.579
where: short stacking energy: -299.398
Base-Backbone interact. energy: -0.690
local terms energy: -301.780674
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -916.817134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.817134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.817134 (E_RNA)
where:
Base-Base interactions energy: -605.370
where: short stacking energy: -264.585
Base-Backbone interact. energy: -0.984
local terms energy: -310.463252
where:
bonds (distance) C4'-P energy: -66.138
bonds (distance) P-C4' energy: -60.135
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -77.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -806.809690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.809690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.809690 (E_RNA)
where:
Base-Base interactions energy: -550.678
where: short stacking energy: -238.177
Base-Backbone interact. energy: 0.396
local terms energy: -256.527299
where:
bonds (distance) C4'-P energy: -47.467
bonds (distance) P-C4' energy: -44.312
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -58.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -720.804365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.804365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.804365 (E_RNA)
where:
Base-Base interactions energy: -487.358
where: short stacking energy: -209.425
Base-Backbone interact. energy: -0.069
local terms energy: -233.377585
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -38.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -637.092573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.092573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.092573 (E_RNA)
where:
Base-Base interactions energy: -415.896
where: short stacking energy: -181.508
Base-Backbone interact. energy: -1.159
local terms energy: -220.037738
where:
bonds (distance) C4'-P energy: -59.891
bonds (distance) P-C4' energy: -48.241
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -32.526
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -423.879933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.879933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.879933 (E_RNA)
where:
Base-Base interactions energy: -221.133
where: short stacking energy: -117.500
Base-Backbone interact. energy: -1.036
local terms energy: -201.711386
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -69.966
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1147.598528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.598528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.598528 (E_RNA)
where:
Base-Base interactions energy: -823.351
where: short stacking energy: -343.973
Base-Backbone interact. energy: -0.801
local terms energy: -323.446315
where:
bonds (distance) C4'-P energy: -57.188
bonds (distance) P-C4' energy: -57.783
flat angles C4'-P-C4' energy: -66.134
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -98.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1109.453032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.453032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.453032 (E_RNA)
where:
Base-Base interactions energy: -781.372
where: short stacking energy: -321.669
Base-Backbone interact. energy: -2.526
local terms energy: -325.554484
where:
bonds (distance) C4'-P energy: -58.752
bonds (distance) P-C4' energy: -63.507
flat angles C4'-P-C4' energy: -70.304
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -91.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1029.803739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.803739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.803739 (E_RNA)
where:
Base-Base interactions energy: -716.719
where: short stacking energy: -311.268
Base-Backbone interact. energy: -0.544
local terms energy: -312.541634
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -67.891
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -97.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1048.677462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.677462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.677462 (E_RNA)
where:
Base-Base interactions energy: -744.165
where: short stacking energy: -316.489
Base-Backbone interact. energy: -0.808
local terms energy: -303.704068
where:
bonds (distance) C4'-P energy: -56.129
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -60.453
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -91.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -933.657794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.657794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.657794 (E_RNA)
where:
Base-Base interactions energy: -651.073
where: short stacking energy: -288.604
Base-Backbone interact. energy: -0.654
local terms energy: -281.930728
where:
bonds (distance) C4'-P energy: -47.928
bonds (distance) P-C4' energy: -45.166
flat angles C4'-P-C4' energy: -62.855
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -81.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -907.921135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.921135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.921135 (E_RNA)
where:
Base-Base interactions energy: -647.369
where: short stacking energy: -277.342
Base-Backbone interact. energy: -1.011
local terms energy: -259.541090
where:
bonds (distance) C4'-P energy: -37.799
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -38.959
tors. eta vs tors. theta energy: -74.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -792.099616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.099616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.099616 (E_RNA)
where:
Base-Base interactions energy: -531.099
where: short stacking energy: -224.994
Base-Backbone interact. energy: -2.232
local terms energy: -258.768721
where:
bonds (distance) C4'-P energy: -59.221
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -50.187
flat angles P-C4'-P energy: -44.077
tors. eta vs tors. theta energy: -56.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -765.836857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.836857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.836857 (E_RNA)
where:
Base-Base interactions energy: -504.890
where: short stacking energy: -229.629
Base-Backbone interact. energy: 0.125
local terms energy: -261.071900
where:
bonds (distance) C4'-P energy: -57.319
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -56.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -645.511287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.511287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.511287 (E_RNA)
where:
Base-Base interactions energy: -415.977
where: short stacking energy: -178.511
Base-Backbone interact. energy: -0.240
local terms energy: -229.294600
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -56.485
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -463.183011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.183011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.183011 (E_RNA)
where:
Base-Base interactions energy: -249.497
where: short stacking energy: -146.006
Base-Backbone interact. energy: 0.329
local terms energy: -214.015401
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -50.477
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1155.905678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.905678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.905678 (E_RNA)
where:
Base-Base interactions energy: -816.492
where: short stacking energy: -336.263
Base-Backbone interact. energy: -0.457
local terms energy: -338.956445
where:
bonds (distance) C4'-P energy: -59.353
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -96.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1110.881372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.881372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.881372 (E_RNA)
where:
Base-Base interactions energy: -791.734
where: short stacking energy: -339.824
Base-Backbone interact. energy: -1.979
local terms energy: -317.167776
where:
bonds (distance) C4'-P energy: -60.534
bonds (distance) P-C4' energy: -60.295
flat angles C4'-P-C4' energy: -65.157
flat angles P-C4'-P energy: -39.538
tors. eta vs tors. theta energy: -91.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1076.295838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.295838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.295838 (E_RNA)
where:
Base-Base interactions energy: -764.119
where: short stacking energy: -325.922
Base-Backbone interact. energy: -0.756
local terms energy: -311.420047
where:
bonds (distance) C4'-P energy: -60.462
bonds (distance) P-C4' energy: -56.310
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -92.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -997.109803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.109803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.109803 (E_RNA)
where:
Base-Base interactions energy: -699.982
where: short stacking energy: -306.526
Base-Backbone interact. energy: -1.254
local terms energy: -295.873101
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -71.921
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -86.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -920.912434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.912434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.912434 (E_RNA)
where:
Base-Base interactions energy: -642.853
where: short stacking energy: -285.005
Base-Backbone interact. energy: 0.878
local terms energy: -278.938015
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -57.126
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -47.802
tors. eta vs tors. theta energy: -69.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -902.174986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.174986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.174986 (E_RNA)
where:
Base-Base interactions energy: -620.557
where: short stacking energy: -278.424
Base-Backbone interact. energy: -1.212
local terms energy: -280.405293
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -58.764
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -71.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -812.658011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.658011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.658011 (E_RNA)
where:
Base-Base interactions energy: -557.625
where: short stacking energy: -235.208
Base-Backbone interact. energy: -0.892
local terms energy: -254.141095
where:
bonds (distance) C4'-P energy: -49.707
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -61.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -752.986635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.986635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.986635 (E_RNA)
where:
Base-Base interactions energy: -513.734
where: short stacking energy: -216.936
Base-Backbone interact. energy: 0.673
local terms energy: -239.925805
where:
bonds (distance) C4'-P energy: -43.422
bonds (distance) P-C4' energy: -48.498
flat angles C4'-P-C4' energy: -57.200
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -56.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -692.140245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.140245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.140245 (E_RNA)
where:
Base-Base interactions energy: -443.076
where: short stacking energy: -216.661
Base-Backbone interact. energy: 0.276
local terms energy: -249.340097
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -62.440
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -45.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -402.477589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.477589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.477589 (E_RNA)
where:
Base-Base interactions energy: -225.147
where: short stacking energy: -121.561
Base-Backbone interact. energy: 3.269
local terms energy: -180.599480
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -50.376
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1157.089689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.089689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.089689 (E_RNA)
where:
Base-Base interactions energy: -814.956
where: short stacking energy: -337.297
Base-Backbone interact. energy: -1.231
local terms energy: -340.902423
where:
bonds (distance) C4'-P energy: -62.296
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -67.532
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -107.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1122.840042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.840042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.840042 (E_RNA)
where:
Base-Base interactions energy: -789.513
where: short stacking energy: -333.926
Base-Backbone interact. energy: -1.117
local terms energy: -332.210618
where:
bonds (distance) C4'-P energy: -61.148
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -46.775
tors. eta vs tors. theta energy: -94.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1066.270089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.270089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.270089 (E_RNA)
where:
Base-Base interactions energy: -753.471
where: short stacking energy: -316.469
Base-Backbone interact. energy: 0.138
local terms energy: -312.937219
where:
bonds (distance) C4'-P energy: -47.955
bonds (distance) P-C4' energy: -64.060
flat angles C4'-P-C4' energy: -65.940
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -89.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1009.619044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.619044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.619044 (E_RNA)
where:
Base-Base interactions energy: -704.242
where: short stacking energy: -315.706
Base-Backbone interact. energy: -3.020
local terms energy: -302.356942
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -90.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -927.742264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.742264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.742264 (E_RNA)
where:
Base-Base interactions energy: -640.496
where: short stacking energy: -292.045
Base-Backbone interact. energy: 2.580
local terms energy: -289.826328
where:
bonds (distance) C4'-P energy: -47.542
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -72.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -909.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.460529 (E_RNA)
where:
Base-Base interactions energy: -615.763
where: short stacking energy: -274.057
Base-Backbone interact. energy: -0.553
local terms energy: -293.144046
where:
bonds (distance) C4'-P energy: -64.007
bonds (distance) P-C4' energy: -59.451
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -74.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -805.762989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.762989 (E_RNA)
where:
Base-Base interactions energy: -546.582
where: short stacking energy: -244.971
Base-Backbone interact. energy: -1.178
local terms energy: -258.003077
where:
bonds (distance) C4'-P energy: -59.421
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -49.394
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -57.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -764.298877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.298877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.298877 (E_RNA)
where:
Base-Base interactions energy: -522.685
where: short stacking energy: -231.688
Base-Backbone interact. energy: -0.039
local terms energy: -241.574827
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -61.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -676.192142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.192142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.192142 (E_RNA)
where:
Base-Base interactions energy: -445.705
where: short stacking energy: -210.756
Base-Backbone interact. energy: -0.558
local terms energy: -229.929200
where:
bonds (distance) C4'-P energy: -42.261
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -405.226340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.226340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.226340 (E_RNA)
where:
Base-Base interactions energy: -227.030
where: short stacking energy: -118.726
Base-Backbone interact. energy: -0.092
local terms energy: -178.105067
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -55.163
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1154.007289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.007289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.007289 (E_RNA)
where:
Base-Base interactions energy: -824.229
where: short stacking energy: -340.527
Base-Backbone interact. energy: -0.562
local terms energy: -329.216162
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -62.164
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -46.876
tors. eta vs tors. theta energy: -98.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1100.186285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.186285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.186285 (E_RNA)
where:
Base-Base interactions energy: -774.060
where: short stacking energy: -329.481
Base-Backbone interact. energy: 0.691
local terms energy: -326.817662
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -58.991
flat angles C4'-P-C4' energy: -69.829
flat angles P-C4'-P energy: -45.564
tors. eta vs tors. theta energy: -92.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1089.957483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.957483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.957483 (E_RNA)
where:
Base-Base interactions energy: -750.536
where: short stacking energy: -323.576
Base-Backbone interact. energy: -1.277
local terms energy: -338.144902
where:
bonds (distance) C4'-P energy: -66.803
bonds (distance) P-C4' energy: -59.968
flat angles C4'-P-C4' energy: -74.215
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: -87.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -987.296428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.296428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.296428 (E_RNA)
where:
Base-Base interactions energy: -687.379
where: short stacking energy: -303.074
Base-Backbone interact. energy: -1.612
local terms energy: -298.305834
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -58.684
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -86.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -954.855274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.855274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.855274 (E_RNA)
where:
Base-Base interactions energy: -647.550
where: short stacking energy: -261.303
Base-Backbone interact. energy: -2.503
local terms energy: -304.802647
where:
bonds (distance) C4'-P energy: -58.805
bonds (distance) P-C4' energy: -63.560
flat angles C4'-P-C4' energy: -59.020
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: -74.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -911.711418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.711418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.711418 (E_RNA)
where:
Base-Base interactions energy: -621.257
where: short stacking energy: -283.033
Base-Backbone interact. energy: -1.359
local terms energy: -289.095780
where:
bonds (distance) C4'-P energy: -55.763
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: -78.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -828.894674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.894674 (E_RNA)
where:
Base-Base interactions energy: -569.881
where: short stacking energy: -255.867
Base-Backbone interact. energy: 3.442
local terms energy: -262.454866
where:
bonds (distance) C4'-P energy: -54.376
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -65.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -844.729022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.729022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.729022 (E_RNA)
where:
Base-Base interactions energy: -614.172
where: short stacking energy: -253.565
Base-Backbone interact. energy: 0.115
local terms energy: -230.672198
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -70.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -634.136542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.136542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.136542 (E_RNA)
where:
Base-Base interactions energy: -392.649
where: short stacking energy: -179.724
Base-Backbone interact. energy: -0.741
local terms energy: -240.746376
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -58.823
flat angles C4'-P-C4' energy: -63.403
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -35.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -382.582016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.582016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.582016 (E_RNA)
where:
Base-Base interactions energy: -214.322
where: short stacking energy: -99.735
Base-Backbone interact. energy: -0.473
local terms energy: -167.786859
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1144.252867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.252867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.252867 (E_RNA)
where:
Base-Base interactions energy: -800.531
where: short stacking energy: -326.538
Base-Backbone interact. energy: 0.880
local terms energy: -344.601957
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -63.175
flat angles C4'-P-C4' energy: -69.309
flat angles P-C4'-P energy: -45.332
tors. eta vs tors. theta energy: -103.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1109.879643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.879643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.879643 (E_RNA)
where:
Base-Base interactions energy: -767.824
where: short stacking energy: -327.595
Base-Backbone interact. energy: -1.382
local terms energy: -340.673074
where:
bonds (distance) C4'-P energy: -69.716
bonds (distance) P-C4' energy: -59.270
flat angles C4'-P-C4' energy: -70.514
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -91.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1045.303005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.303005 (E_RNA)
where:
Base-Base interactions energy: -744.922
where: short stacking energy: -305.414
Base-Backbone interact. energy: 0.468
local terms energy: -300.849018
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -61.546
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -48.991
tors. eta vs tors. theta energy: -87.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -977.769416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.769416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.769416 (E_RNA)
where:
Base-Base interactions energy: -689.422
where: short stacking energy: -277.474
Base-Backbone interact. energy: -1.795
local terms energy: -286.551596
where:
bonds (distance) C4'-P energy: -53.058
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -59.838
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -78.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -967.294328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.294328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.294328 (E_RNA)
where:
Base-Base interactions energy: -673.803
where: short stacking energy: -292.791
Base-Backbone interact. energy: -0.790
local terms energy: -292.701155
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -53.950
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -38.017
tors. eta vs tors. theta energy: -82.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -863.109449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.109449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.109449 (E_RNA)
where:
Base-Base interactions energy: -589.440
where: short stacking energy: -258.636
Base-Backbone interact. energy: -0.303
local terms energy: -273.366383
where:
bonds (distance) C4'-P energy: -41.489
bonds (distance) P-C4' energy: -59.460
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -69.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -813.801528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.801528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.801528 (E_RNA)
where:
Base-Base interactions energy: -539.566
where: short stacking energy: -233.035
Base-Backbone interact. energy: 0.957
local terms energy: -275.192172
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -47.400
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -861.762117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.762117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.762117 (E_RNA)
where:
Base-Base interactions energy: -598.541
where: short stacking energy: -250.219
Base-Backbone interact. energy: 0.635
local terms energy: -263.855766
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -51.360
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -34.905
tors. eta vs tors. theta energy: -70.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -631.375254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.375254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.375254 (E_RNA)
where:
Base-Base interactions energy: -397.698
where: short stacking energy: -176.534
Base-Backbone interact. energy: 0.272
local terms energy: -233.949913
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -48.359
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -37.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -438.874102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.874102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.874102 (E_RNA)
where:
Base-Base interactions energy: -257.039
where: short stacking energy: -121.962
Base-Backbone interact. energy: -0.517
local terms energy: -181.317411
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1128.415924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.415924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.415924 (E_RNA)
where:
Base-Base interactions energy: -790.024
where: short stacking energy: -346.007
Base-Backbone interact. energy: -1.461
local terms energy: -336.930929
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -62.881
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -91.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1136.748627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.748627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.748627 (E_RNA)
where:
Base-Base interactions energy: -798.515
where: short stacking energy: -333.097
Base-Backbone interact. energy: -0.206
local terms energy: -338.027436
where:
bonds (distance) C4'-P energy: -61.416
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -99.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1072.517634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.517634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.517634 (E_RNA)
where:
Base-Base interactions energy: -757.640
where: short stacking energy: -330.076
Base-Backbone interact. energy: -0.979
local terms energy: -313.898090
where:
bonds (distance) C4'-P energy: -53.647
bonds (distance) P-C4' energy: -57.636
flat angles C4'-P-C4' energy: -69.495
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -97.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1001.741735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.741735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.741735 (E_RNA)
where:
Base-Base interactions energy: -698.545
where: short stacking energy: -313.252
Base-Backbone interact. energy: -1.388
local terms energy: -301.809130
where:
bonds (distance) C4'-P energy: -56.706
bonds (distance) P-C4' energy: -52.816
flat angles C4'-P-C4' energy: -72.574
flat angles P-C4'-P energy: -37.345
tors. eta vs tors. theta energy: -82.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -956.985346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.985346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.985346 (E_RNA)
where:
Base-Base interactions energy: -671.193
where: short stacking energy: -303.015
Base-Backbone interact. energy: -2.402
local terms energy: -283.390314
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -70.237
flat angles P-C4'-P energy: -43.816
tors. eta vs tors. theta energy: -79.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -925.353335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.353335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.353335 (E_RNA)
where:
Base-Base interactions energy: -629.484
where: short stacking energy: -270.318
Base-Backbone interact. energy: -1.758
local terms energy: -294.111107
where:
bonds (distance) C4'-P energy: -56.577
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -64.923
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -871.171666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.171666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.171666 (E_RNA)
where:
Base-Base interactions energy: -610.747
where: short stacking energy: -236.713
Base-Backbone interact. energy: -0.854
local terms energy: -259.570857
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -50.090
flat angles P-C4'-P energy: -45.633
tors. eta vs tors. theta energy: -62.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -784.069207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.069207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.069207 (E_RNA)
where:
Base-Base interactions energy: -540.950
where: short stacking energy: -225.876
Base-Backbone interact. energy: -1.688
local terms energy: -241.430525
where:
bonds (distance) C4'-P energy: -49.637
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -52.437
flat angles P-C4'-P energy: -34.410
tors. eta vs tors. theta energy: -57.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -644.890285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.890285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.890285 (E_RNA)
where:
Base-Base interactions energy: -432.725
where: short stacking energy: -200.669
Base-Backbone interact. energy: 0.147
local terms energy: -212.311947
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -47.150
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -427.496112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.496112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.496112 (E_RNA)
where:
Base-Base interactions energy: -222.669
where: short stacking energy: -126.802
Base-Backbone interact. energy: 2.444
local terms energy: -207.271278
where:
bonds (distance) C4'-P energy: -57.178
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1135.804628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.804628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.804628 (E_RNA)
where:
Base-Base interactions energy: -808.189
where: short stacking energy: -329.136
Base-Backbone interact. energy: -0.459
local terms energy: -327.156855
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -65.868
flat angles C4'-P-C4' energy: -63.066
flat angles P-C4'-P energy: -43.008
tors. eta vs tors. theta energy: -89.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1140.314249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.314249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.314249 (E_RNA)
where:
Base-Base interactions energy: -802.686
where: short stacking energy: -333.542
Base-Backbone interact. energy: -0.578
local terms energy: -337.049998
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -102.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1084.285561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.285561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.285561 (E_RNA)
where:
Base-Base interactions energy: -759.484
where: short stacking energy: -321.840
Base-Backbone interact. energy: -2.870
local terms energy: -321.931662
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -70.984
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -91.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -976.249524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.249524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.249524 (E_RNA)
where:
Base-Base interactions energy: -675.241
where: short stacking energy: -291.309
Base-Backbone interact. energy: 2.163
local terms energy: -303.171584
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -53.977
flat angles C4'-P-C4' energy: -71.103
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -72.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -922.033834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.033834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.033834 (E_RNA)
where:
Base-Base interactions energy: -626.349
where: short stacking energy: -280.150
Base-Backbone interact. energy: -1.120
local terms energy: -294.564733
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -64.470
flat angles P-C4'-P energy: -41.575
tors. eta vs tors. theta energy: -81.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -961.055107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.055107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.055107 (E_RNA)
where:
Base-Base interactions energy: -673.587
where: short stacking energy: -275.495
Base-Backbone interact. energy: -1.191
local terms energy: -286.276703
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -55.006
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -80.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -876.091392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.091392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.091392 (E_RNA)
where:
Base-Base interactions energy: -621.645
where: short stacking energy: -270.969
Base-Backbone interact. energy: 0.903
local terms energy: -255.349106
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -65.523
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -64.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -788.643832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.643832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.643832 (E_RNA)
where:
Base-Base interactions energy: -536.089
where: short stacking energy: -236.378
Base-Backbone interact. energy: -0.786
local terms energy: -251.768554
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -52.103
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -61.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -660.556536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.556536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.556536 (E_RNA)
where:
Base-Base interactions energy: -403.522
where: short stacking energy: -189.851
Base-Backbone interact. energy: -1.914
local terms energy: -255.120451
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -411.400384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.400384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.400384 (E_RNA)
where:
Base-Base interactions energy: -221.505
where: short stacking energy: -130.029
Base-Backbone interact. energy: -0.251
local terms energy: -189.644242
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1148.193199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.193199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.193199 (E_RNA)
where:
Base-Base interactions energy: -809.590
where: short stacking energy: -346.004
Base-Backbone interact. energy: -0.945
local terms energy: -337.658283
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -64.615
flat angles C4'-P-C4' energy: -71.576
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -101.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1105.591878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.591878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.591878 (E_RNA)
where:
Base-Base interactions energy: -802.459
where: short stacking energy: -331.245
Base-Backbone interact. energy: -0.760
local terms energy: -302.372223
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -57.863
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -88.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1067.368491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.368491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.368491 (E_RNA)
where:
Base-Base interactions energy: -755.221
where: short stacking energy: -321.736
Base-Backbone interact. energy: -1.763
local terms energy: -310.384597
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -65.119
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: -90.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -994.843455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.843455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.843455 (E_RNA)
where:
Base-Base interactions energy: -689.565
where: short stacking energy: -303.566
Base-Backbone interact. energy: -1.359
local terms energy: -303.920035
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -43.917
tors. eta vs tors. theta energy: -87.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1009.125032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.125032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.125032 (E_RNA)
where:
Base-Base interactions energy: -706.770
where: short stacking energy: -295.687
Base-Backbone interact. energy: -0.107
local terms energy: -302.248248
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: -86.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -920.420583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.420583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.420583 (E_RNA)
where:
Base-Base interactions energy: -641.872
where: short stacking energy: -264.516
Base-Backbone interact. energy: -1.481
local terms energy: -277.068116
where:
bonds (distance) C4'-P energy: -48.757
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -54.493
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -911.572217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.572217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.572217 (E_RNA)
where:
Base-Base interactions energy: -631.133
where: short stacking energy: -270.392
Base-Backbone interact. energy: 3.163
local terms energy: -283.602866
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -60.240
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: -75.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -773.748499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.748499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.748499 (E_RNA)
where:
Base-Base interactions energy: -515.364
where: short stacking energy: -228.808
Base-Backbone interact. energy: 2.166
local terms energy: -260.550666
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -63.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -636.421724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.421724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.421724 (E_RNA)
where:
Base-Base interactions energy: -419.264
where: short stacking energy: -174.267
Base-Backbone interact. energy: 0.128
local terms energy: -217.285128
where:
bonds (distance) C4'-P energy: -54.610
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -46.739
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -44.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -408.705626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.705626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.705626 (E_RNA)
where:
Base-Base interactions energy: -237.730
where: short stacking energy: -130.470
Base-Backbone interact. energy: -1.089
local terms energy: -169.886321
where:
bonds (distance) C4'-P energy: -37.118
bonds (distance) P-C4' energy: -58.419
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1150.461521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.461521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.461521 (E_RNA)
where:
Base-Base interactions energy: -822.860
where: short stacking energy: -360.760
Base-Backbone interact. energy: -0.135
local terms energy: -327.466358
where:
bonds (distance) C4'-P energy: -59.427
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -66.706
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -104.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1105.985736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.985736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.985736 (E_RNA)
where:
Base-Base interactions energy: -773.620
where: short stacking energy: -320.971
Base-Backbone interact. energy: -0.772
local terms energy: -331.593896
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -63.939
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -47.585
tors. eta vs tors. theta energy: -93.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1070.676841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.676841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.676841 (E_RNA)
where:
Base-Base interactions energy: -751.428
where: short stacking energy: -319.685
Base-Backbone interact. energy: -0.271
local terms energy: -318.978098
where:
bonds (distance) C4'-P energy: -65.042
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -92.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1018.675810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.675810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.675810 (E_RNA)
where:
Base-Base interactions energy: -702.055
where: short stacking energy: -285.779
Base-Backbone interact. energy: -1.085
local terms energy: -315.534912
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -64.841
flat angles C4'-P-C4' energy: -68.058
flat angles P-C4'-P energy: -46.973
tors. eta vs tors. theta energy: -82.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1020.376211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.376211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.376211 (E_RNA)
where:
Base-Base interactions energy: -733.046
where: short stacking energy: -299.994
Base-Backbone interact. energy: 0.303
local terms energy: -287.633508
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -63.317
flat angles P-C4'-P energy: -32.631
tors. eta vs tors. theta energy: -87.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -947.110373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.110373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.110373 (E_RNA)
where:
Base-Base interactions energy: -659.077
where: short stacking energy: -283.666
Base-Backbone interact. energy: -0.428
local terms energy: -287.604924
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -60.341
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -75.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -866.388306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.388306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.388306 (E_RNA)
where:
Base-Base interactions energy: -612.739
where: short stacking energy: -255.393
Base-Backbone interact. energy: -0.401
local terms energy: -253.248958
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -56.161
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -799.221361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.221361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.221361 (E_RNA)
where:
Base-Base interactions energy: -545.565
where: short stacking energy: -234.177
Base-Backbone interact. energy: 4.069
local terms energy: -257.725494
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -56.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -616.921943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.921943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.921943 (E_RNA)
where:
Base-Base interactions energy: -403.595
where: short stacking energy: -195.632
Base-Backbone interact. energy: -0.594
local terms energy: -212.733379
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -39.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -385.929588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.929588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.929588 (E_RNA)
where:
Base-Base interactions energy: -223.392
where: short stacking energy: -127.518
Base-Backbone interact. energy: 1.131
local terms energy: -163.668721
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1123.720766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.720766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.720766 (E_RNA)
where:
Base-Base interactions energy: -808.667
where: short stacking energy: -347.225
Base-Backbone interact. energy: -0.973
local terms energy: -314.080272
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -58.895
flat angles P-C4'-P energy: -44.864
tors. eta vs tors. theta energy: -93.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1132.665992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.665992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.665992 (E_RNA)
where:
Base-Base interactions energy: -811.016
where: short stacking energy: -352.578
Base-Backbone interact. energy: -1.317
local terms energy: -320.333635
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -103.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1063.540742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.540742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.540742 (E_RNA)
where:
Base-Base interactions energy: -741.110
where: short stacking energy: -315.324
Base-Backbone interact. energy: -1.264
local terms energy: -321.167017
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -66.466
flat angles P-C4'-P energy: -45.427
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -981.135614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.135614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.135614 (E_RNA)
where:
Base-Base interactions energy: -687.261
where: short stacking energy: -284.501
Base-Backbone interact. energy: -1.183
local terms energy: -292.691183
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -74.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -946.064099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.064099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.064099 (E_RNA)
where:
Base-Base interactions energy: -648.395
where: short stacking energy: -290.730
Base-Backbone interact. energy: -0.026
local terms energy: -297.643463
where:
bonds (distance) C4'-P energy: -62.429
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -78.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -966.213692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.213692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.213692 (E_RNA)
where:
Base-Base interactions energy: -671.454
where: short stacking energy: -277.674
Base-Backbone interact. energy: -0.769
local terms energy: -293.990457
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -60.317
flat angles C4'-P-C4' energy: -61.304
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -75.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -897.411163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.411163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.411163 (E_RNA)
where:
Base-Base interactions energy: -634.186
where: short stacking energy: -257.233
Base-Backbone interact. energy: 0.364
local terms energy: -263.589077
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -74.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -764.947223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.947223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.947223 (E_RNA)
where:
Base-Base interactions energy: -508.991
where: short stacking energy: -212.175
Base-Backbone interact. energy: -0.085
local terms energy: -255.871742
where:
bonds (distance) C4'-P energy: -65.827
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -44.251
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -56.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -609.482686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.482686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.482686 (E_RNA)
where:
Base-Base interactions energy: -382.117
where: short stacking energy: -183.306
Base-Backbone interact. energy: 0.704
local terms energy: -228.070510
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -47.214
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -39.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -411.350546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.350546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.350546 (E_RNA)
where:
Base-Base interactions energy: -248.298
where: short stacking energy: -119.438
Base-Backbone interact. energy: 0.981
local terms energy: -164.033541
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -51.750
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1133.643656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.643656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.643656 (E_RNA)
where:
Base-Base interactions energy: -811.918
where: short stacking energy: -337.637
Base-Backbone interact. energy: -1.327
local terms energy: -320.398715
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -65.979
flat angles C4'-P-C4' energy: -65.625
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -94.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1146.675195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.675195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.675195 (E_RNA)
where:
Base-Base interactions energy: -809.658
where: short stacking energy: -350.079
Base-Backbone interact. energy: -1.596
local terms energy: -335.421689
where:
bonds (distance) C4'-P energy: -70.145
bonds (distance) P-C4' energy: -53.795
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -102.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1087.228258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.228258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.228258 (E_RNA)
where:
Base-Base interactions energy: -756.761
where: short stacking energy: -323.895
Base-Backbone interact. energy: -0.693
local terms energy: -329.774040
where:
bonds (distance) C4'-P energy: -63.306
bonds (distance) P-C4' energy: -58.294
flat angles C4'-P-C4' energy: -67.602
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -98.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1012.047132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.047132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.047132 (E_RNA)
where:
Base-Base interactions energy: -710.429
where: short stacking energy: -315.567
Base-Backbone interact. energy: -0.778
local terms energy: -300.840529
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -88.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -938.068535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.068535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.068535 (E_RNA)
where:
Base-Base interactions energy: -648.544
where: short stacking energy: -279.978
Base-Backbone interact. energy: -1.525
local terms energy: -288.000012
where:
bonds (distance) C4'-P energy: -47.121
bonds (distance) P-C4' energy: -55.682
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -79.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -986.848707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.848707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.848707 (E_RNA)
where:
Base-Base interactions energy: -675.239
where: short stacking energy: -302.719
Base-Backbone interact. energy: -1.157
local terms energy: -310.453523
where:
bonds (distance) C4'-P energy: -53.746
bonds (distance) P-C4' energy: -53.530
flat angles C4'-P-C4' energy: -63.980
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: -94.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -864.640809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.640809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.640809 (E_RNA)
where:
Base-Base interactions energy: -582.826
where: short stacking energy: -238.585
Base-Backbone interact. energy: -0.018
local terms energy: -281.796553
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -55.066
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -72.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -759.699190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.699190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.699190 (E_RNA)
where:
Base-Base interactions energy: -515.332
where: short stacking energy: -226.604
Base-Backbone interact. energy: -1.710
local terms energy: -242.657519
where:
bonds (distance) C4'-P energy: -54.592
bonds (distance) P-C4' energy: -45.080
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -32.379
tors. eta vs tors. theta energy: -53.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -628.367364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.367364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.367364 (E_RNA)
where:
Base-Base interactions energy: -402.285
where: short stacking energy: -179.797
Base-Backbone interact. energy: -1.457
local terms energy: -224.624864
where:
bonds (distance) C4'-P energy: -49.316
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -24.296
tors. eta vs tors. theta energy: -51.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -410.922700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.922700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.922700 (E_RNA)
where:
Base-Base interactions energy: -234.096
where: short stacking energy: -124.009
Base-Backbone interact. energy: -1.656
local terms energy: -175.170276
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -49.440
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1118.815477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.815477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.815477 (E_RNA)
where:
Base-Base interactions energy: -797.627
where: short stacking energy: -334.476
Base-Backbone interact. energy: -1.610
local terms energy: -319.578410
where:
bonds (distance) C4'-P energy: -56.881
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -72.251
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -85.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1122.660863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.660863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.660863 (E_RNA)
where:
Base-Base interactions energy: -789.892
where: short stacking energy: -345.369
Base-Backbone interact. energy: -1.108
local terms energy: -331.661081
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -64.089
flat angles C4'-P-C4' energy: -71.547
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -101.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1051.532907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.532907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.532907 (E_RNA)
where:
Base-Base interactions energy: -746.746
where: short stacking energy: -318.598
Base-Backbone interact. energy: 0.330
local terms energy: -305.117002
where:
bonds (distance) C4'-P energy: -58.160
bonds (distance) P-C4' energy: -55.219
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -43.408
tors. eta vs tors. theta energy: -86.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -999.545830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.545830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.545830 (E_RNA)
where:
Base-Base interactions energy: -676.871
where: short stacking energy: -278.763
Base-Backbone interact. energy: 0.471
local terms energy: -323.145526
where:
bonds (distance) C4'-P energy: -64.616
bonds (distance) P-C4' energy: -68.846
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -84.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1004.886247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.886247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.886247 (E_RNA)
where:
Base-Base interactions energy: -697.611
where: short stacking energy: -303.192
Base-Backbone interact. energy: -1.455
local terms energy: -305.820637
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -49.587
flat angles C4'-P-C4' energy: -65.561
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -904.462263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.462263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.462263 (E_RNA)
where:
Base-Base interactions energy: -624.541
where: short stacking energy: -266.107
Base-Backbone interact. energy: -0.863
local terms energy: -279.058316
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -64.954
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -74.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -870.504366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.504366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.504366 (E_RNA)
where:
Base-Base interactions energy: -612.207
where: short stacking energy: -264.338
Base-Backbone interact. energy: -2.050
local terms energy: -256.248056
where:
bonds (distance) C4'-P energy: -53.044
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -55.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -751.338674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.338674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.338674 (E_RNA)
where:
Base-Base interactions energy: -496.024
where: short stacking energy: -219.127
Base-Backbone interact. energy: -0.848
local terms energy: -254.466478
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -59.218
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -53.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -655.180424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.180424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.180424 (E_RNA)
where:
Base-Base interactions energy: -424.102
where: short stacking energy: -190.721
Base-Backbone interact. energy: -2.426
local terms energy: -228.652614
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -39.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -389.224729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.224729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.224729 (E_RNA)
where:
Base-Base interactions energy: -214.517
where: short stacking energy: -95.875
Base-Backbone interact. energy: -1.982
local terms energy: -172.725785
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1108.191585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.191585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.191585 (E_RNA)
where:
Base-Base interactions energy: -780.288
where: short stacking energy: -320.283
Base-Backbone interact. energy: -1.759
local terms energy: -326.144697
where:
bonds (distance) C4'-P energy: -64.747
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -87.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1128.220649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.220649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.220649 (E_RNA)
where:
Base-Base interactions energy: -801.767
where: short stacking energy: -348.606
Base-Backbone interact. energy: -1.365
local terms energy: -325.088594
where:
bonds (distance) C4'-P energy: -61.740
bonds (distance) P-C4' energy: -57.057
flat angles C4'-P-C4' energy: -72.620
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -96.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1067.984734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.984734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.984734 (E_RNA)
where:
Base-Base interactions energy: -745.369
where: short stacking energy: -322.932
Base-Backbone interact. energy: 0.972
local terms energy: -323.588190
where:
bonds (distance) C4'-P energy: -52.511
bonds (distance) P-C4' energy: -58.382
flat angles C4'-P-C4' energy: -69.835
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -96.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1010.490524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.490524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.490524 (E_RNA)
where:
Base-Base interactions energy: -689.671
where: short stacking energy: -301.309
Base-Backbone interact. energy: -0.398
local terms energy: -320.421567
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -57.618
flat angles C4'-P-C4' energy: -71.082
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -88.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -993.034062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.034062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.034062 (E_RNA)
where:
Base-Base interactions energy: -694.755
where: short stacking energy: -302.874
Base-Backbone interact. energy: -1.882
local terms energy: -296.397845
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -63.315
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -84.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -951.550167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.550167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.550167 (E_RNA)
where:
Base-Base interactions energy: -650.207
where: short stacking energy: -285.511
Base-Backbone interact. energy: -1.121
local terms energy: -300.222306
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -59.572
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -78.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -899.642641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.642641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.642641 (E_RNA)
where:
Base-Base interactions energy: -636.342
where: short stacking energy: -265.323
Base-Backbone interact. energy: -1.701
local terms energy: -261.599494
where:
bonds (distance) C4'-P energy: -57.057
bonds (distance) P-C4' energy: -41.951
flat angles C4'-P-C4' energy: -55.993
flat angles P-C4'-P energy: -36.484
tors. eta vs tors. theta energy: -70.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -790.198838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.198838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.198838 (E_RNA)
where:
Base-Base interactions energy: -535.299
where: short stacking energy: -240.833
Base-Backbone interact. energy: -1.038
local terms energy: -253.862270
where:
bonds (distance) C4'-P energy: -47.812
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -61.574
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -58.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -654.845945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.845945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.845945 (E_RNA)
where:
Base-Base interactions energy: -413.900
where: short stacking energy: -179.676
Base-Backbone interact. energy: 3.091
local terms energy: -244.036983
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -46.721
tors. eta vs tors. theta energy: -45.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -439.489037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.489037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.489037 (E_RNA)
where:
Base-Base interactions energy: -245.439
where: short stacking energy: -123.992
Base-Backbone interact. energy: 0.051
local terms energy: -194.101438
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1144.147911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.147911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.147911 (E_RNA)
where:
Base-Base interactions energy: -813.576
where: short stacking energy: -353.224
Base-Backbone interact. energy: -0.554
local terms energy: -330.017414
where:
bonds (distance) C4'-P energy: -63.949
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: -101.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1107.387342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.387342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.387342 (E_RNA)
where:
Base-Base interactions energy: -788.584
where: short stacking energy: -311.175
Base-Backbone interact. energy: -1.101
local terms energy: -317.702305
where:
bonds (distance) C4'-P energy: -54.631
bonds (distance) P-C4' energy: -64.703
flat angles C4'-P-C4' energy: -71.030
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -80.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1074.119459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.119459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.119459 (E_RNA)
where:
Base-Base interactions energy: -757.554
where: short stacking energy: -325.501
Base-Backbone interact. energy: -1.744
local terms energy: -314.821289
where:
bonds (distance) C4'-P energy: -58.339
bonds (distance) P-C4' energy: -57.543
flat angles C4'-P-C4' energy: -61.146
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -90.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -989.677011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.677011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.677011 (E_RNA)
where:
Base-Base interactions energy: -679.591
where: short stacking energy: -293.488
Base-Backbone interact. energy: -2.179
local terms energy: -307.906785
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -65.324
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -81.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1004.862123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.862123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.862123 (E_RNA)
where:
Base-Base interactions energy: -704.808
where: short stacking energy: -303.400
Base-Backbone interact. energy: -4.005
local terms energy: -296.049574
where:
bonds (distance) C4'-P energy: -59.263
bonds (distance) P-C4' energy: -50.822
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -85.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -924.236567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.236567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.236567 (E_RNA)
where:
Base-Base interactions energy: -640.048
where: short stacking energy: -267.722
Base-Backbone interact. energy: -1.236
local terms energy: -282.951938
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -35.635
tors. eta vs tors. theta energy: -75.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -906.452473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.452473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.452473 (E_RNA)
where:
Base-Base interactions energy: -639.241
where: short stacking energy: -263.351
Base-Backbone interact. energy: -1.260
local terms energy: -265.951339
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -37.789
tors. eta vs tors. theta energy: -69.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -766.366539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.366539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.366539 (E_RNA)
where:
Base-Base interactions energy: -511.461
where: short stacking energy: -225.186
Base-Backbone interact. energy: -3.003
local terms energy: -251.901967
where:
bonds (distance) C4'-P energy: -55.890
bonds (distance) P-C4' energy: -55.814
flat angles C4'-P-C4' energy: -50.406
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -56.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -618.384027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.384027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.384027 (E_RNA)
where:
Base-Base interactions energy: -393.877
where: short stacking energy: -185.440
Base-Backbone interact. energy: -0.535
local terms energy: -223.972246
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -46.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -482.531283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.531283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.531283 (E_RNA)
where:
Base-Base interactions energy: -318.302
where: short stacking energy: -164.071
Base-Backbone interact. energy: 1.887
local terms energy: -166.116711
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -48.256
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1149.649883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.649883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.649883 (E_RNA)
where:
Base-Base interactions energy: -806.707
where: short stacking energy: -336.732
Base-Backbone interact. energy: -2.338
local terms energy: -340.605144
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -56.838
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -45.902
tors. eta vs tors. theta energy: -100.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1095.003519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.003519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.003519 (E_RNA)
where:
Base-Base interactions energy: -776.013
where: short stacking energy: -317.397
Base-Backbone interact. energy: -0.782
local terms energy: -318.208483
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: -90.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1071.303394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.303394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.303394 (E_RNA)
where:
Base-Base interactions energy: -745.620
where: short stacking energy: -325.530
Base-Backbone interact. energy: 1.424
local terms energy: -327.107916
where:
bonds (distance) C4'-P energy: -67.165
bonds (distance) P-C4' energy: -61.672
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -91.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1024.361869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.361869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.361869 (E_RNA)
where:
Base-Base interactions energy: -698.347
where: short stacking energy: -300.598
Base-Backbone interact. energy: -2.397
local terms energy: -323.617048
where:
bonds (distance) C4'-P energy: -60.855
bonds (distance) P-C4' energy: -60.260
flat angles C4'-P-C4' energy: -67.939
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -986.546275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.546275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.546275 (E_RNA)
where:
Base-Base interactions energy: -686.553
where: short stacking energy: -283.690
Base-Backbone interact. energy: 0.761
local terms energy: -300.754753
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -56.667
flat angles C4'-P-C4' energy: -62.678
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -84.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -868.624070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.624070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.624070 (E_RNA)
where:
Base-Base interactions energy: -617.481
where: short stacking energy: -248.900
Base-Backbone interact. energy: -1.464
local terms energy: -249.679276
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -57.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -883.193638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.193638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.193638 (E_RNA)
where:
Base-Base interactions energy: -611.528
where: short stacking energy: -245.328
Base-Backbone interact. energy: -0.105
local terms energy: -271.560229
where:
bonds (distance) C4'-P energy: -61.825
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -55.757
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -63.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -755.289355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.289355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.289355 (E_RNA)
where:
Base-Base interactions energy: -511.524
where: short stacking energy: -210.199
Base-Backbone interact. energy: 0.292
local terms energy: -244.057224
where:
bonds (distance) C4'-P energy: -44.787
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -40.873
tors. eta vs tors. theta energy: -60.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -626.039557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.039557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.039557 (E_RNA)
where:
Base-Base interactions energy: -416.473
where: short stacking energy: -201.928
Base-Backbone interact. energy: -0.667
local terms energy: -208.899877
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -56.930
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -50.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -470.887907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.887907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.887907 (E_RNA)
where:
Base-Base interactions energy: -272.652
where: short stacking energy: -150.163
Base-Backbone interact. energy: 2.130
local terms energy: -200.366397
where:
bonds (distance) C4'-P energy: -47.477
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -42.983
flat angles P-C4'-P energy: -35.396
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1149.461258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.461258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.461258 (E_RNA)
where:
Base-Base interactions energy: -809.822
where: short stacking energy: -354.103
Base-Backbone interact. energy: -1.769
local terms energy: -337.870235
where:
bonds (distance) C4'-P energy: -62.439
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -102.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1082.854105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.854105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.854105 (E_RNA)
where:
Base-Base interactions energy: -771.319
where: short stacking energy: -318.454
Base-Backbone interact. energy: -2.649
local terms energy: -308.886289
where:
bonds (distance) C4'-P energy: -49.403
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -38.612
tors. eta vs tors. theta energy: -89.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1059.466386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.466386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.466386 (E_RNA)
where:
Base-Base interactions energy: -744.270
where: short stacking energy: -300.552
Base-Backbone interact. energy: -1.789
local terms energy: -313.407988
where:
bonds (distance) C4'-P energy: -52.433
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -66.836
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -87.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1023.898776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.898776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.898776 (E_RNA)
where:
Base-Base interactions energy: -730.564
where: short stacking energy: -313.703
Base-Backbone interact. energy: -1.784
local terms energy: -291.550808
where:
bonds (distance) C4'-P energy: -58.545
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -65.080
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -84.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -959.003051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.003051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.003051 (E_RNA)
where:
Base-Base interactions energy: -690.446
where: short stacking energy: -290.019
Base-Backbone interact. energy: -2.471
local terms energy: -266.085791
where:
bonds (distance) C4'-P energy: -50.066
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: -72.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -916.075815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.075815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.075815 (E_RNA)
where:
Base-Base interactions energy: -631.458
where: short stacking energy: -270.791
Base-Backbone interact. energy: -1.222
local terms energy: -283.395970
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -58.249
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -78.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -913.874868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.874868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.874868 (E_RNA)
where:
Base-Base interactions energy: -639.551
where: short stacking energy: -264.014
Base-Backbone interact. energy: -0.558
local terms energy: -273.765579
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -48.022
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -73.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -727.996537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.996537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.996537 (E_RNA)
where:
Base-Base interactions energy: -505.421
where: short stacking energy: -217.253
Base-Backbone interact. energy: 0.315
local terms energy: -222.890903
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -49.408
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -623.734280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.734280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.734280 (E_RNA)
where:
Base-Base interactions energy: -395.974
where: short stacking energy: -170.458
Base-Backbone interact. energy: -1.301
local terms energy: -226.459221
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -49.202
flat angles P-C4'-P energy: -38.782
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -402.504241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.504241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.504241 (E_RNA)
where:
Base-Base interactions energy: -208.255
where: short stacking energy: -101.002
Base-Backbone interact. energy: -0.012
local terms energy: -194.236898
where:
bonds (distance) C4'-P energy: -52.444
bonds (distance) P-C4' energy: -53.411
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1150.201536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.201536 (E_RNA)
where:
Base-Base interactions energy: -813.594
where: short stacking energy: -341.514
Base-Backbone interact. energy: -0.684
local terms energy: -335.923738
where:
bonds (distance) C4'-P energy: -57.997
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -76.604
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -97.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1104.820007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.820007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.820007 (E_RNA)
where:
Base-Base interactions energy: -789.319
where: short stacking energy: -323.936
Base-Backbone interact. energy: -1.293
local terms energy: -314.207345
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -59.846
flat angles C4'-P-C4' energy: -68.010
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -93.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1065.185264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.185264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.185264 (E_RNA)
where:
Base-Base interactions energy: -748.240
where: short stacking energy: -310.124
Base-Backbone interact. energy: 0.612
local terms energy: -317.556841
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -73.939
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -91.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1002.852651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.852651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.852651 (E_RNA)
where:
Base-Base interactions energy: -707.979
where: short stacking energy: -300.029
Base-Backbone interact. energy: -2.212
local terms energy: -292.661650
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -57.207
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -82.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -988.693325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.693325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.693325 (E_RNA)
where:
Base-Base interactions energy: -698.826
where: short stacking energy: -288.327
Base-Backbone interact. energy: -0.218
local terms energy: -289.649572
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -53.093
flat angles C4'-P-C4' energy: -58.582
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -84.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -922.053426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.053426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.053426 (E_RNA)
where:
Base-Base interactions energy: -627.409
where: short stacking energy: -288.858
Base-Backbone interact. energy: -0.024
local terms energy: -294.620454
where:
bonds (distance) C4'-P energy: -57.068
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -37.012
tors. eta vs tors. theta energy: -83.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -891.036281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.036281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.036281 (E_RNA)
where:
Base-Base interactions energy: -612.846
where: short stacking energy: -249.505
Base-Backbone interact. energy: -0.922
local terms energy: -277.267955
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -65.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -718.227748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.227748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.227748 (E_RNA)
where:
Base-Base interactions energy: -465.347
where: short stacking energy: -208.514
Base-Backbone interact. energy: -1.345
local terms energy: -251.535261
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -52.329
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -52.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -618.418770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.418770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.418770 (E_RNA)
where:
Base-Base interactions energy: -401.809
where: short stacking energy: -187.839
Base-Backbone interact. energy: -0.247
local terms energy: -216.362127
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -42.555
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -38.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -418.211061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.211061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.211061 (E_RNA)
where:
Base-Base interactions energy: -225.015
where: short stacking energy: -117.789
Base-Backbone interact. energy: 0.149
local terms energy: -193.345588
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -53.127
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1159.833864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.833864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.833864 (E_RNA)
where:
Base-Base interactions energy: -810.556
where: short stacking energy: -342.297
Base-Backbone interact. energy: -0.698
local terms energy: -348.579771
where:
bonds (distance) C4'-P energy: -66.360
bonds (distance) P-C4' energy: -62.564
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -51.429
tors. eta vs tors. theta energy: -104.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1089.709056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.709056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.709056 (E_RNA)
where:
Base-Base interactions energy: -775.608
where: short stacking energy: -322.602
Base-Backbone interact. energy: 2.696
local terms energy: -316.796815
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -68.511
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -85.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1058.957637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.957637 (E_RNA)
where:
Base-Base interactions energy: -742.613
where: short stacking energy: -329.739
Base-Backbone interact. energy: -1.192
local terms energy: -315.152840
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -60.922
flat angles C4'-P-C4' energy: -69.919
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -90.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1024.209402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.209402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.209402 (E_RNA)
where:
Base-Base interactions energy: -727.533
where: short stacking energy: -325.273
Base-Backbone interact. energy: -2.244
local terms energy: -294.432187
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -59.989
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -86.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -993.677540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.677540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.677540 (E_RNA)
where:
Base-Base interactions energy: -714.789
where: short stacking energy: -301.440
Base-Backbone interact. energy: -0.914
local terms energy: -277.974289
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -53.615
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -80.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -898.709144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.709144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.709144 (E_RNA)
where:
Base-Base interactions energy: -614.187
where: short stacking energy: -256.548
Base-Backbone interact. energy: -1.458
local terms energy: -283.063940
where:
bonds (distance) C4'-P energy: -57.362
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -70.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -889.589509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.589509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.589509 (E_RNA)
where:
Base-Base interactions energy: -615.720
where: short stacking energy: -251.566
Base-Backbone interact. energy: -0.799
local terms energy: -273.070674
where:
bonds (distance) C4'-P energy: -50.473
bonds (distance) P-C4' energy: -50.570
flat angles C4'-P-C4' energy: -60.621
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -68.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -726.995301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.995301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.995301 (E_RNA)
where:
Base-Base interactions energy: -493.129
where: short stacking energy: -219.490
Base-Backbone interact. energy: -1.666
local terms energy: -232.201019
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -36.526
tors. eta vs tors. theta energy: -46.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -641.873766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.873766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.873766 (E_RNA)
where:
Base-Base interactions energy: -398.979
where: short stacking energy: -198.860
Base-Backbone interact. energy: -0.892
local terms energy: -242.002358
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -55.228
flat angles C4'-P-C4' energy: -46.724
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -36.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -406.203690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.203690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.203690 (E_RNA)
where:
Base-Base interactions energy: -218.437
where: short stacking energy: -111.536
Base-Backbone interact. energy: -0.832
local terms energy: -186.934504
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -46.553
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1158.453824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.453824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.453824 (E_RNA)
where:
Base-Base interactions energy: -824.049
where: short stacking energy: -348.836
Base-Backbone interact. energy: 0.065
local terms energy: -334.469016
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -39.741
tors. eta vs tors. theta energy: -103.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1102.282357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.282357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.282357 (E_RNA)
where:
Base-Base interactions energy: -769.199
where: short stacking energy: -328.681
Base-Backbone interact. energy: -1.143
local terms energy: -331.940555
where:
bonds (distance) C4'-P energy: -57.661
bonds (distance) P-C4' energy: -67.485
flat angles C4'-P-C4' energy: -71.405
flat angles P-C4'-P energy: -45.245
tors. eta vs tors. theta energy: -90.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1034.946109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.946109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.946109 (E_RNA)
where:
Base-Base interactions energy: -733.989
where: short stacking energy: -317.058
Base-Backbone interact. energy: -0.006
local terms energy: -300.951639
where:
bonds (distance) C4'-P energy: -52.536
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -48.943
tors. eta vs tors. theta energy: -80.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1000.945790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.945790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.945790 (E_RNA)
where:
Base-Base interactions energy: -688.721
where: short stacking energy: -311.983
Base-Backbone interact. energy: -1.622
local terms energy: -310.602788
where:
bonds (distance) C4'-P energy: -59.187
bonds (distance) P-C4' energy: -60.784
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -84.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1014.968888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.968888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.968888 (E_RNA)
where:
Base-Base interactions energy: -711.354
where: short stacking energy: -301.373
Base-Backbone interact. energy: -2.843
local terms energy: -300.772182
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -56.243
flat angles C4'-P-C4' energy: -62.303
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -88.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -939.866890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.866890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.866890 (E_RNA)
where:
Base-Base interactions energy: -653.913
where: short stacking energy: -260.450
Base-Backbone interact. energy: -1.013
local terms energy: -284.940471
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -67.189
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -75.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -852.251073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.251073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.251073 (E_RNA)
where:
Base-Base interactions energy: -582.240
where: short stacking energy: -253.669
Base-Backbone interact. energy: -0.072
local terms energy: -269.939000
where:
bonds (distance) C4'-P energy: -38.409
bonds (distance) P-C4' energy: -65.024
flat angles C4'-P-C4' energy: -53.560
flat angles P-C4'-P energy: -43.847
tors. eta vs tors. theta energy: -69.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -706.088041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.088041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.088041 (E_RNA)
where:
Base-Base interactions energy: -473.841
where: short stacking energy: -219.149
Base-Backbone interact. energy: -1.281
local terms energy: -230.966261
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -640.204508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.204508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.204508 (E_RNA)
where:
Base-Base interactions energy: -421.437
where: short stacking energy: -187.724
Base-Backbone interact. energy: -1.763
local terms energy: -217.005074
where:
bonds (distance) C4'-P energy: -47.889
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -46.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -400.896702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.896702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.896702 (E_RNA)
where:
Base-Base interactions energy: -224.850
where: short stacking energy: -104.583
Base-Backbone interact. energy: -1.689
local terms energy: -174.357195
where:
bonds (distance) C4'-P energy: -45.465
bonds (distance) P-C4' energy: -53.697
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: 3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1155.277475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.277475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.277475 (E_RNA)
where:
Base-Base interactions energy: -807.130
where: short stacking energy: -346.049
Base-Backbone interact. energy: -1.606
local terms energy: -346.541893
where:
bonds (distance) C4'-P energy: -61.386
bonds (distance) P-C4' energy: -67.362
flat angles C4'-P-C4' energy: -70.418
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -104.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1096.242447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.242447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.242447 (E_RNA)
where:
Base-Base interactions energy: -784.078
where: short stacking energy: -318.310
Base-Backbone interact. energy: 0.159
local terms energy: -312.323751
where:
bonds (distance) C4'-P energy: -65.859
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -64.135
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: -84.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1035.526202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.526202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.526202 (E_RNA)
where:
Base-Base interactions energy: -709.987
where: short stacking energy: -304.752
Base-Backbone interact. energy: -1.174
local terms energy: -324.365716
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -71.331
flat angles P-C4'-P energy: -42.829
tors. eta vs tors. theta energy: -81.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1016.833101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.833101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.833101 (E_RNA)
where:
Base-Base interactions energy: -705.059
where: short stacking energy: -298.489
Base-Backbone interact. energy: 0.699
local terms energy: -312.473506
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -81.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1038.439635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.439635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.439635 (E_RNA)
where:
Base-Base interactions energy: -721.999
where: short stacking energy: -295.419
Base-Backbone interact. energy: -0.924
local terms energy: -315.516145
where:
bonds (distance) C4'-P energy: -64.878
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -78.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -918.948048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.948048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.948048 (E_RNA)
where:
Base-Base interactions energy: -625.691
where: short stacking energy: -261.561
Base-Backbone interact. energy: -1.256
local terms energy: -292.001109
where:
bonds (distance) C4'-P energy: -54.430
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -858.253615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.253615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.253615 (E_RNA)
where:
Base-Base interactions energy: -598.419
where: short stacking energy: -256.237
Base-Backbone interact. energy: 0.147
local terms energy: -259.982001
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -63.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -717.309045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.309045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.309045 (E_RNA)
where:
Base-Base interactions energy: -472.847
where: short stacking energy: -219.315
Base-Backbone interact. energy: -0.281
local terms energy: -244.180821
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -622.394671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.394671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.394671 (E_RNA)
where:
Base-Base interactions energy: -408.234
where: short stacking energy: -173.498
Base-Backbone interact. energy: -0.632
local terms energy: -213.528415
where:
bonds (distance) C4'-P energy: -52.517
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -33.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -403.766580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.766580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.766580 (E_RNA)
where:
Base-Base interactions energy: -223.532
where: short stacking energy: -121.423
Base-Backbone interact. energy: 0.156
local terms energy: -180.390881
where:
bonds (distance) C4'-P energy: -50.699
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -40.631
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1143.176312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.176312 (E_RNA)
where:
Base-Base interactions energy: -805.050
where: short stacking energy: -336.003
Base-Backbone interact. energy: -1.839
local terms energy: -336.287693
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -70.091
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -98.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1070.448739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.448739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.448739 (E_RNA)
where:
Base-Base interactions energy: -753.013
where: short stacking energy: -314.033
Base-Backbone interact. energy: -1.094
local terms energy: -316.341251
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -63.125
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -80.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1080.214439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.214439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.214439 (E_RNA)
where:
Base-Base interactions energy: -765.869
where: short stacking energy: -310.373
Base-Backbone interact. energy: -1.107
local terms energy: -313.238227
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -62.467
flat angles C4'-P-C4' energy: -64.478
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -85.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1069.762831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.762831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.762831 (E_RNA)
where:
Base-Base interactions energy: -761.405
where: short stacking energy: -320.025
Base-Backbone interact. energy: -0.889
local terms energy: -307.469045
where:
bonds (distance) C4'-P energy: -60.791
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -64.891
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -90.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -982.013531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.013531 (E_RNA)
where:
Base-Base interactions energy: -683.364
where: short stacking energy: -294.014
Base-Backbone interact. energy: 0.276
local terms energy: -298.925669
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -69.911
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -82.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -953.435349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.435349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.435349 (E_RNA)
where:
Base-Base interactions energy: -644.591
where: short stacking energy: -293.797
Base-Backbone interact. energy: -1.131
local terms energy: -307.713161
where:
bonds (distance) C4'-P energy: -50.561
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -43.729
tors. eta vs tors. theta energy: -87.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -879.360600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.360600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.360600 (E_RNA)
where:
Base-Base interactions energy: -597.827
where: short stacking energy: -272.658
Base-Backbone interact. energy: 1.178
local terms energy: -282.711252
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -59.156
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -70.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -716.515324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.515324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.515324 (E_RNA)
where:
Base-Base interactions energy: -478.052
where: short stacking energy: -216.304
Base-Backbone interact. energy: -0.638
local terms energy: -237.824798
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -61.321
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -36.692
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -634.122438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.122438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.122438 (E_RNA)
where:
Base-Base interactions energy: -414.338
where: short stacking energy: -184.763
Base-Backbone interact. energy: 2.784
local terms energy: -222.568695
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -428.384005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.384005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.384005 (E_RNA)
where:
Base-Base interactions energy: -233.077
where: short stacking energy: -102.908
Base-Backbone interact. energy: 4.649
local terms energy: -199.956372
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -55.328
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1168.849623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.849623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.849623 (E_RNA)
where:
Base-Base interactions energy: -826.865
where: short stacking energy: -344.578
Base-Backbone interact. energy: 0.294
local terms energy: -342.277990
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -73.465
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -105.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1069.477147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.477147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.477147 (E_RNA)
where:
Base-Base interactions energy: -750.371
where: short stacking energy: -318.955
Base-Backbone interact. energy: -0.745
local terms energy: -318.360870
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -69.602
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -92.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1094.075636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.075636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.075636 (E_RNA)
where:
Base-Base interactions energy: -771.396
where: short stacking energy: -332.125
Base-Backbone interact. energy: -1.801
local terms energy: -320.879025
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -59.154
flat angles P-C4'-P energy: -47.595
tors. eta vs tors. theta energy: -94.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1043.463574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.463574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.463574 (E_RNA)
where:
Base-Base interactions energy: -738.055
where: short stacking energy: -324.127
Base-Backbone interact. energy: 2.225
local terms energy: -307.634156
where:
bonds (distance) C4'-P energy: -54.278
bonds (distance) P-C4' energy: -64.327
flat angles C4'-P-C4' energy: -64.896
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -79.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -995.005334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.005334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.005334 (E_RNA)
where:
Base-Base interactions energy: -697.666
where: short stacking energy: -311.677
Base-Backbone interact. energy: -1.033
local terms energy: -296.306018
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -69.342
flat angles P-C4'-P energy: -44.286
tors. eta vs tors. theta energy: -82.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -946.155960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.155960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.155960 (E_RNA)
where:
Base-Base interactions energy: -652.694
where: short stacking energy: -280.103
Base-Backbone interact. energy: 0.270
local terms energy: -293.731239
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -61.426
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -83.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -879.602797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.602797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.602797 (E_RNA)
where:
Base-Base interactions energy: -597.368
where: short stacking energy: -257.216
Base-Backbone interact. energy: 3.693
local terms energy: -285.927515
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -59.433
flat angles C4'-P-C4' energy: -55.495
flat angles P-C4'-P energy: -48.871
tors. eta vs tors. theta energy: -74.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -685.076088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.076088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.076088 (E_RNA)
where:
Base-Base interactions energy: -447.501
where: short stacking energy: -197.221
Base-Backbone interact. energy: -2.151
local terms energy: -235.424335
where:
bonds (distance) C4'-P energy: -53.182
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -28.866
tors. eta vs tors. theta energy: -44.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -587.906537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.906537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.906537 (E_RNA)
where:
Base-Base interactions energy: -367.704
where: short stacking energy: -170.265
Base-Backbone interact. energy: -1.614
local terms energy: -218.588776
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: -30.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -412.594657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.594657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.594657 (E_RNA)
where:
Base-Base interactions energy: -228.133
where: short stacking energy: -131.360
Base-Backbone interact. energy: 2.864
local terms energy: -187.325693
where:
bonds (distance) C4'-P energy: -44.394
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1138.989685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.989685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.989685 (E_RNA)
where:
Base-Base interactions energy: -810.300
where: short stacking energy: -356.759
Base-Backbone interact. energy: -0.371
local terms energy: -328.318396
where:
bonds (distance) C4'-P energy: -57.503
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -67.026
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -106.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1098.153760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.153760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.153760 (E_RNA)
where:
Base-Base interactions energy: -776.383
where: short stacking energy: -326.368
Base-Backbone interact. energy: -0.142
local terms energy: -321.628823
where:
bonds (distance) C4'-P energy: -49.043
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -68.197
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -94.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1062.770420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.770420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.770420 (E_RNA)
where:
Base-Base interactions energy: -736.837
where: short stacking energy: -316.658
Base-Backbone interact. energy: -1.403
local terms energy: -324.531195
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -77.843
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -87.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1050.169503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.169503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.169503 (E_RNA)
where:
Base-Base interactions energy: -728.412
where: short stacking energy: -304.066
Base-Backbone interact. energy: 1.782
local terms energy: -323.539644
where:
bonds (distance) C4'-P energy: -59.399
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -67.944
flat angles P-C4'-P energy: -49.778
tors. eta vs tors. theta energy: -85.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -975.169009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.169009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.169009 (E_RNA)
where:
Base-Base interactions energy: -689.139
where: short stacking energy: -298.203
Base-Backbone interact. energy: -1.385
local terms energy: -284.644544
where:
bonds (distance) C4'-P energy: -55.877
bonds (distance) P-C4' energy: -54.490
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -81.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -935.586431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.586431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.586431 (E_RNA)
where:
Base-Base interactions energy: -656.453
where: short stacking energy: -266.584
Base-Backbone interact. energy: -0.118
local terms energy: -279.014791
where:
bonds (distance) C4'-P energy: -49.318
bonds (distance) P-C4' energy: -57.412
flat angles C4'-P-C4' energy: -62.922
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -71.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -877.276029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.276029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.276029 (E_RNA)
where:
Base-Base interactions energy: -586.467
where: short stacking energy: -256.135
Base-Backbone interact. energy: 0.273
local terms energy: -291.082508
where:
bonds (distance) C4'-P energy: -61.289
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -62.980
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -70.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -730.363798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.363798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.363798 (E_RNA)
where:
Base-Base interactions energy: -494.836
where: short stacking energy: -224.653
Base-Backbone interact. energy: 4.526
local terms energy: -240.053809
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -56.763
flat angles C4'-P-C4' energy: -55.683
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -554.024186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.024186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.024186 (E_RNA)
where:
Base-Base interactions energy: -349.135
where: short stacking energy: -160.392
Base-Backbone interact. energy: 0.749
local terms energy: -205.638274
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -45.565
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -29.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -417.540137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.540137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.540137 (E_RNA)
where:
Base-Base interactions energy: -246.276
where: short stacking energy: -134.581
Base-Backbone interact. energy: 1.001
local terms energy: -172.265707
where:
bonds (distance) C4'-P energy: -47.188
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1137.666192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.666192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.666192 (E_RNA)
where:
Base-Base interactions energy: -808.617
where: short stacking energy: -339.551
Base-Backbone interact. energy: -1.776
local terms energy: -327.273582
where:
bonds (distance) C4'-P energy: -56.038
bonds (distance) P-C4' energy: -57.439
flat angles C4'-P-C4' energy: -73.052
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -102.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1092.821148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.821148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.821148 (E_RNA)
where:
Base-Base interactions energy: -756.011
where: short stacking energy: -311.754
Base-Backbone interact. energy: -1.423
local terms energy: -335.387198
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -72.472
flat angles P-C4'-P energy: -51.116
tors. eta vs tors. theta energy: -87.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1072.518507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.518507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.518507 (E_RNA)
where:
Base-Base interactions energy: -777.914
where: short stacking energy: -328.198
Base-Backbone interact. energy: -0.786
local terms energy: -293.818193
where:
bonds (distance) C4'-P energy: -45.800
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -42.780
tors. eta vs tors. theta energy: -93.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1027.477013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.477013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.477013 (E_RNA)
where:
Base-Base interactions energy: -724.532
where: short stacking energy: -305.533
Base-Backbone interact. energy: -0.048
local terms energy: -302.896728
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -47.994
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: -90.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -959.966538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.966538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.966538 (E_RNA)
where:
Base-Base interactions energy: -676.576
where: short stacking energy: -279.990
Base-Backbone interact. energy: -0.962
local terms energy: -282.428874
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -53.871
flat angles C4'-P-C4' energy: -59.989
flat angles P-C4'-P energy: -40.440
tors. eta vs tors. theta energy: -76.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -950.482836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.482836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.482836 (E_RNA)
where:
Base-Base interactions energy: -648.647
where: short stacking energy: -293.493
Base-Backbone interact. energy: -1.447
local terms energy: -300.388077
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -59.047
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -88.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -861.668020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.668020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.668020 (E_RNA)
where:
Base-Base interactions energy: -594.370
where: short stacking energy: -244.421
Base-Backbone interact. energy: -1.039
local terms energy: -266.258513
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: -65.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -684.126706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.126706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.126706 (E_RNA)
where:
Base-Base interactions energy: -445.608
where: short stacking energy: -195.324
Base-Backbone interact. energy: -1.575
local terms energy: -236.943429
where:
bonds (distance) C4'-P energy: -54.770
bonds (distance) P-C4' energy: -48.627
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -44.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -558.019471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.019471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.019471 (E_RNA)
where:
Base-Base interactions energy: -340.120
where: short stacking energy: -164.648
Base-Backbone interact. energy: -0.599
local terms energy: -217.299988
where:
bonds (distance) C4'-P energy: -56.344
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -50.942
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -442.431981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.431981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.431981 (E_RNA)
where:
Base-Base interactions energy: -255.612
where: short stacking energy: -129.773
Base-Backbone interact. energy: -3.144
local terms energy: -183.676408
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -52.642
flat angles C4'-P-C4' energy: -46.134
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1141.217023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.217023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.217023 (E_RNA)
where:
Base-Base interactions energy: -795.673
where: short stacking energy: -345.358
Base-Backbone interact. energy: -0.660
local terms energy: -344.883923
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -66.407
flat angles C4'-P-C4' energy: -67.107
flat angles P-C4'-P energy: -52.324
tors. eta vs tors. theta energy: -102.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1092.688291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.688291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.688291 (E_RNA)
where:
Base-Base interactions energy: -760.567
where: short stacking energy: -332.515
Base-Backbone interact. energy: -1.756
local terms energy: -330.365183
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -99.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1068.366690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.366690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.366690 (E_RNA)
where:
Base-Base interactions energy: -774.464
where: short stacking energy: -320.097
Base-Backbone interact. energy: 2.135
local terms energy: -296.037299
where:
bonds (distance) C4'-P energy: -51.178
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -85.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1023.040391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.040391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.040391 (E_RNA)
where:
Base-Base interactions energy: -702.502
where: short stacking energy: -306.876
Base-Backbone interact. energy: -0.231
local terms energy: -320.307234
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -57.238
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -87.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -961.943092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.943092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.943092 (E_RNA)
where:
Base-Base interactions energy: -662.328
where: short stacking energy: -278.371
Base-Backbone interact. energy: -0.437
local terms energy: -299.178700
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -69.438
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: -83.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -964.838762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.838762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.838762 (E_RNA)
where:
Base-Base interactions energy: -666.088
where: short stacking energy: -303.971
Base-Backbone interact. energy: -0.333
local terms energy: -298.417780
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -90.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -854.390586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.390586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.390586 (E_RNA)
where:
Base-Base interactions energy: -584.810
where: short stacking energy: -254.692
Base-Backbone interact. energy: -2.054
local terms energy: -267.526790
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -77.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -706.478417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.478417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.478417 (E_RNA)
where:
Base-Base interactions energy: -494.313
where: short stacking energy: -218.342
Base-Backbone interact. energy: -1.589
local terms energy: -210.575832
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -47.732
flat angles C4'-P-C4' energy: -49.292
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -37.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -562.687537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.687537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.687537 (E_RNA)
where:
Base-Base interactions energy: -359.797
where: short stacking energy: -171.734
Base-Backbone interact. energy: -2.670
local terms energy: -200.220474
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -53.375
flat angles P-C4'-P energy: -29.850
tors. eta vs tors. theta energy: -30.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -427.646861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.646861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.646861 (E_RNA)
where:
Base-Base interactions energy: -239.201
where: short stacking energy: -117.549
Base-Backbone interact. energy: 0.958
local terms energy: -189.403234
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -35.548
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1150.412184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.412184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.412184 (E_RNA)
where:
Base-Base interactions energy: -812.703
where: short stacking energy: -352.890
Base-Backbone interact. energy: -1.093
local terms energy: -336.616056
where:
bonds (distance) C4'-P energy: -63.156
bonds (distance) P-C4' energy: -57.678
flat angles C4'-P-C4' energy: -67.952
flat angles P-C4'-P energy: -44.801
tors. eta vs tors. theta energy: -103.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1082.438573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.438573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.438573 (E_RNA)
where:
Base-Base interactions energy: -763.745
where: short stacking energy: -320.094
Base-Backbone interact. energy: -0.607
local terms energy: -318.086575
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -62.490
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -52.132
tors. eta vs tors. theta energy: -85.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1079.593793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.593793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.593793 (E_RNA)
where:
Base-Base interactions energy: -764.842
where: short stacking energy: -328.909
Base-Backbone interact. energy: -2.243
local terms energy: -312.509044
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -92.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1006.558871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.558871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.558871 (E_RNA)
where:
Base-Base interactions energy: -710.779
where: short stacking energy: -299.780
Base-Backbone interact. energy: -0.753
local terms energy: -295.027224
where:
bonds (distance) C4'-P energy: -50.916
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -46.955
tors. eta vs tors. theta energy: -76.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -979.191474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.191474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.191474 (E_RNA)
where:
Base-Base interactions energy: -676.186
where: short stacking energy: -284.917
Base-Backbone interact. energy: -1.112
local terms energy: -301.893647
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -56.935
flat angles C4'-P-C4' energy: -66.244
flat angles P-C4'-P energy: -44.141
tors. eta vs tors. theta energy: -83.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -936.645463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.645463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.645463 (E_RNA)
where:
Base-Base interactions energy: -647.365
where: short stacking energy: -281.250
Base-Backbone interact. energy: -0.401
local terms energy: -288.880186
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -58.094
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: -77.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -819.209955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.209955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.209955 (E_RNA)
where:
Base-Base interactions energy: -562.554
where: short stacking energy: -250.095
Base-Backbone interact. energy: -1.437
local terms energy: -255.218227
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -63.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -708.771712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.771712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.771712 (E_RNA)
where:
Base-Base interactions energy: -479.943
where: short stacking energy: -207.282
Base-Backbone interact. energy: 0.553
local terms energy: -229.381983
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -47.707
flat angles C4'-P-C4' energy: -61.730
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -37.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -551.307939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.307939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.307939 (E_RNA)
where:
Base-Base interactions energy: -335.779
where: short stacking energy: -151.607
Base-Backbone interact. energy: -1.255
local terms energy: -214.274316
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -57.135
flat angles C4'-P-C4' energy: -48.702
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -412.809203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.809203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.809203 (E_RNA)
where:
Base-Base interactions energy: -210.893
where: short stacking energy: -106.682
Base-Backbone interact. energy: -1.307
local terms energy: -200.609812
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -52.880
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1151.947266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.947266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.947266 (E_RNA)
where:
Base-Base interactions energy: -805.029
where: short stacking energy: -339.701
Base-Backbone interact. energy: -2.000
local terms energy: -344.918044
where:
bonds (distance) C4'-P energy: -59.543
bonds (distance) P-C4' energy: -63.290
flat angles C4'-P-C4' energy: -68.004
flat angles P-C4'-P energy: -47.752
tors. eta vs tors. theta energy: -106.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1102.566631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.566631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.566631 (E_RNA)
where:
Base-Base interactions energy: -781.111
where: short stacking energy: -331.848
Base-Backbone interact. energy: 0.917
local terms energy: -322.372854
where:
bonds (distance) C4'-P energy: -56.241
bonds (distance) P-C4' energy: -63.383
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -47.520
tors. eta vs tors. theta energy: -92.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1077.176896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.176896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.176896 (E_RNA)
where:
Base-Base interactions energy: -771.391
where: short stacking energy: -334.478
Base-Backbone interact. energy: -1.604
local terms energy: -304.182321
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -61.653
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -92.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1011.815097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.815097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.815097 (E_RNA)
where:
Base-Base interactions energy: -699.221
where: short stacking energy: -315.858
Base-Backbone interact. energy: 5.630
local terms energy: -318.224203
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -58.128
flat angles C4'-P-C4' energy: -66.957
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -89.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1007.343597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.343597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.343597 (E_RNA)
where:
Base-Base interactions energy: -713.040
where: short stacking energy: -304.845
Base-Backbone interact. energy: -0.530
local terms energy: -293.774128
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -54.174
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -78.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -932.380090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.380090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.380090 (E_RNA)
where:
Base-Base interactions energy: -642.864
where: short stacking energy: -281.998
Base-Backbone interact. energy: -0.184
local terms energy: -289.332031
where:
bonds (distance) C4'-P energy: -50.409
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: -84.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -799.832665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.832665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.832665 (E_RNA)
where:
Base-Base interactions energy: -554.711
where: short stacking energy: -239.318
Base-Backbone interact. energy: -0.090
local terms energy: -245.031703
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -48.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -727.492943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.492943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.492943 (E_RNA)
where:
Base-Base interactions energy: -504.300
where: short stacking energy: -209.299
Base-Backbone interact. energy: 2.137
local terms energy: -225.329963
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -50.339
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -52.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -555.471393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.471393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.471393 (E_RNA)
where:
Base-Base interactions energy: -358.956
where: short stacking energy: -170.900
Base-Backbone interact. energy: 0.435
local terms energy: -196.950904
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -47.368
flat angles C4'-P-C4' energy: -45.190
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -419.669104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.669104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.669104 (E_RNA)
where:
Base-Base interactions energy: -233.105
where: short stacking energy: -137.360
Base-Backbone interact. energy: -0.719
local terms energy: -185.845219
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1147.479718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.479718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.479718 (E_RNA)
where:
Base-Base interactions energy: -797.228
where: short stacking energy: -340.277
Base-Backbone interact. energy: -1.853
local terms energy: -348.399324
where:
bonds (distance) C4'-P energy: -60.068
bonds (distance) P-C4' energy: -66.734
flat angles C4'-P-C4' energy: -68.648
flat angles P-C4'-P energy: -47.200
tors. eta vs tors. theta energy: -105.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1095.015704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.015704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.015704 (E_RNA)
where:
Base-Base interactions energy: -775.341
where: short stacking energy: -316.028
Base-Backbone interact. energy: 0.031
local terms energy: -319.705993
where:
bonds (distance) C4'-P energy: -58.742
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -85.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1025.421246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.421246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.421246 (E_RNA)
where:
Base-Base interactions energy: -722.150
where: short stacking energy: -316.559
Base-Backbone interact. energy: -1.155
local terms energy: -302.116121
where:
bonds (distance) C4'-P energy: -60.900
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -87.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1042.270237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.270237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.270237 (E_RNA)
where:
Base-Base interactions energy: -764.144
where: short stacking energy: -326.560
Base-Backbone interact. energy: -1.464
local terms energy: -276.662620
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -52.538
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -28.976
tors. eta vs tors. theta energy: -86.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1013.841641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.841641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.841641 (E_RNA)
where:
Base-Base interactions energy: -708.774
where: short stacking energy: -300.023
Base-Backbone interact. energy: 1.867
local terms energy: -306.935259
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -60.175
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -82.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -935.313027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.313027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.313027 (E_RNA)
where:
Base-Base interactions energy: -649.485
where: short stacking energy: -283.543
Base-Backbone interact. energy: -1.639
local terms energy: -284.188796
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -60.386
flat angles P-C4'-P energy: -36.015
tors. eta vs tors. theta energy: -84.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -850.536885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.536885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.536885 (E_RNA)
where:
Base-Base interactions energy: -591.337
where: short stacking energy: -240.315
Base-Backbone interact. energy: -0.483
local terms energy: -258.717026
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -73.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -698.894840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.894840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.894840 (E_RNA)
where:
Base-Base interactions energy: -468.371
where: short stacking energy: -207.204
Base-Backbone interact. energy: -1.241
local terms energy: -229.282441
where:
bonds (distance) C4'-P energy: -41.916
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -43.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -569.081788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.081788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.081788 (E_RNA)
where:
Base-Base interactions energy: -379.022
where: short stacking energy: -177.426
Base-Backbone interact. energy: 2.552
local terms energy: -192.612082
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -32.874
tors. eta vs tors. theta energy: -28.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -412.627614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.627614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.627614 (E_RNA)
where:
Base-Base interactions energy: -218.852
where: short stacking energy: -116.300
Base-Backbone interact. energy: 4.954
local terms energy: -198.728672
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -48.196
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1150.669640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.669640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.669640 (E_RNA)
where:
Base-Base interactions energy: -821.885
where: short stacking energy: -348.079
Base-Backbone interact. energy: 0.759
local terms energy: -329.544265
where:
bonds (distance) C4'-P energy: -58.658
bonds (distance) P-C4' energy: -57.409
flat angles C4'-P-C4' energy: -70.584
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -105.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1100.420970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.420970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.420970 (E_RNA)
where:
Base-Base interactions energy: -765.321
where: short stacking energy: -305.192
Base-Backbone interact. energy: -0.398
local terms energy: -334.702169
where:
bonds (distance) C4'-P energy: -61.937
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -93.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1015.957617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.957617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.957617 (E_RNA)
where:
Base-Base interactions energy: -700.964
where: short stacking energy: -303.113
Base-Backbone interact. energy: -2.013
local terms energy: -312.980883
where:
bonds (distance) C4'-P energy: -54.564
bonds (distance) P-C4' energy: -55.487
flat angles C4'-P-C4' energy: -66.117
flat angles P-C4'-P energy: -55.907
tors. eta vs tors. theta energy: -80.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1038.574996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.574996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.574996 (E_RNA)
where:
Base-Base interactions energy: -733.153
where: short stacking energy: -299.408
Base-Backbone interact. energy: -0.513
local terms energy: -304.908271
where:
bonds (distance) C4'-P energy: -50.327
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -85.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1020.395665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.395665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.395665 (E_RNA)
where:
Base-Base interactions energy: -711.455
where: short stacking energy: -315.261
Base-Backbone interact. energy: -0.261
local terms energy: -308.679737
where:
bonds (distance) C4'-P energy: -53.444
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -53.397
tors. eta vs tors. theta energy: -89.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -961.098086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.098086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.098086 (E_RNA)
where:
Base-Base interactions energy: -670.714
where: short stacking energy: -290.858
Base-Backbone interact. energy: -0.739
local terms energy: -289.644942
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -54.911
flat angles C4'-P-C4' energy: -57.003
flat angles P-C4'-P energy: -43.418
tors. eta vs tors. theta energy: -77.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -781.981032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.981032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.981032 (E_RNA)
where:
Base-Base interactions energy: -537.712
where: short stacking energy: -221.714
Base-Backbone interact. energy: -2.981
local terms energy: -241.288164
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -62.998
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -50.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -698.687400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.687400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.687400 (E_RNA)
where:
Base-Base interactions energy: -470.518
where: short stacking energy: -208.805
Base-Backbone interact. energy: -1.034
local terms energy: -227.135389
where:
bonds (distance) C4'-P energy: -46.686
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -52.000
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -46.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -566.008335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.008335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.008335 (E_RNA)
where:
Base-Base interactions energy: -382.471
where: short stacking energy: -171.426
Base-Backbone interact. energy: 2.292
local terms energy: -185.830071
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -58.893
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -398.943558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.943558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.943558 (E_RNA)
where:
Base-Base interactions energy: -205.905
where: short stacking energy: -105.637
Base-Backbone interact. energy: -0.406
local terms energy: -192.632653
where:
bonds (distance) C4'-P energy: -57.230
bonds (distance) P-C4' energy: -55.157
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1123.645492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.645492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.645492 (E_RNA)
where:
Base-Base interactions energy: -794.386
where: short stacking energy: -333.063
Base-Backbone interact. energy: -0.755
local terms energy: -328.504144
where:
bonds (distance) C4'-P energy: -60.489
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -71.214
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -89.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1127.349227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.349227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.349227 (E_RNA)
where:
Base-Base interactions energy: -797.643
where: short stacking energy: -336.922
Base-Backbone interact. energy: -2.215
local terms energy: -327.491397
where:
bonds (distance) C4'-P energy: -64.871
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -100.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1037.686411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.686411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.686411 (E_RNA)
where:
Base-Base interactions energy: -720.899
where: short stacking energy: -291.839
Base-Backbone interact. energy: -0.032
local terms energy: -316.755728
where:
bonds (distance) C4'-P energy: -65.665
bonds (distance) P-C4' energy: -57.042
flat angles C4'-P-C4' energy: -64.590
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -82.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1039.266568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.266568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.266568 (E_RNA)
where:
Base-Base interactions energy: -734.124
where: short stacking energy: -312.889
Base-Backbone interact. energy: -2.978
local terms energy: -302.164416
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -44.011
flat angles C4'-P-C4' energy: -68.611
flat angles P-C4'-P energy: -41.863
tors. eta vs tors. theta energy: -91.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -988.881160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.881160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.881160 (E_RNA)
where:
Base-Base interactions energy: -696.477
where: short stacking energy: -299.598
Base-Backbone interact. energy: 2.639
local terms energy: -295.043605
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -82.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -974.148254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.148254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.148254 (E_RNA)
where:
Base-Base interactions energy: -668.993
where: short stacking energy: -292.606
Base-Backbone interact. energy: 0.675
local terms energy: -305.830276
where:
bonds (distance) C4'-P energy: -44.775
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -67.776
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -84.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -744.519801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.519801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.519801 (E_RNA)
where:
Base-Base interactions energy: -521.365
where: short stacking energy: -211.399
Base-Backbone interact. energy: -0.774
local terms energy: -222.380535
where:
bonds (distance) C4'-P energy: -51.732
bonds (distance) P-C4' energy: -49.799
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -34.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -710.761861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.761861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.761861 (E_RNA)
where:
Base-Base interactions energy: -479.259
where: short stacking energy: -211.417
Base-Backbone interact. energy: -1.912
local terms energy: -229.590464
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -39.434
flat angles C4'-P-C4' energy: -54.185
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -58.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -563.996237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.996237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.996237 (E_RNA)
where:
Base-Base interactions energy: -356.786
where: short stacking energy: -156.558
Base-Backbone interact. energy: -1.325
local terms energy: -205.885144
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -35.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -402.352942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.352942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.352942 (E_RNA)
where:
Base-Base interactions energy: -229.883
where: short stacking energy: -121.583
Base-Backbone interact. energy: 1.129
local terms energy: -173.598911
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1113.064539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.064539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.064539 (E_RNA)
where:
Base-Base interactions energy: -777.310
where: short stacking energy: -330.281
Base-Backbone interact. energy: -2.323
local terms energy: -333.431341
where:
bonds (distance) C4'-P energy: -64.752
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -93.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1133.613426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.613426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.613426 (E_RNA)
where:
Base-Base interactions energy: -796.463
where: short stacking energy: -340.096
Base-Backbone interact. energy: -2.286
local terms energy: -334.864279
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -102.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1013.864244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.864244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.864244 (E_RNA)
where:
Base-Base interactions energy: -713.005
where: short stacking energy: -304.685
Base-Backbone interact. energy: 3.010
local terms energy: -303.869296
where:
bonds (distance) C4'-P energy: -58.530
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -56.943
flat angles P-C4'-P energy: -49.921
tors. eta vs tors. theta energy: -89.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1039.343740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.343740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.343740 (E_RNA)
where:
Base-Base interactions energy: -733.932
where: short stacking energy: -309.332
Base-Backbone interact. energy: -0.150
local terms energy: -305.261839
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -55.355
flat angles C4'-P-C4' energy: -69.396
flat angles P-C4'-P energy: -46.358
tors. eta vs tors. theta energy: -81.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -987.918893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.918893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.918893 (E_RNA)
where:
Base-Base interactions energy: -684.223
where: short stacking energy: -295.157
Base-Backbone interact. energy: -0.060
local terms energy: -303.635706
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -82.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -976.775524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.775524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.775524 (E_RNA)
where:
Base-Base interactions energy: -680.855
where: short stacking energy: -294.503
Base-Backbone interact. energy: -1.322
local terms energy: -294.598121
where:
bonds (distance) C4'-P energy: -54.553
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -39.566
tors. eta vs tors. theta energy: -83.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -783.094983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.094983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.094983 (E_RNA)
where:
Base-Base interactions energy: -532.878
where: short stacking energy: -220.968
Base-Backbone interact. energy: -2.741
local terms energy: -247.476125
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -51.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -719.866332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.866332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.866332 (E_RNA)
where:
Base-Base interactions energy: -473.669
where: short stacking energy: -219.698
Base-Backbone interact. energy: 2.681
local terms energy: -248.878257
where:
bonds (distance) C4'-P energy: -47.577
bonds (distance) P-C4' energy: -58.666
flat angles C4'-P-C4' energy: -64.095
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -46.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -551.252863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.252863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.252863 (E_RNA)
where:
Base-Base interactions energy: -346.553
where: short stacking energy: -146.649
Base-Backbone interact. energy: -1.147
local terms energy: -203.552865
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -47.752
flat angles C4'-P-C4' energy: -57.905
flat angles P-C4'-P energy: -30.706
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -413.000520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.000520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.000520 (E_RNA)
where:
Base-Base interactions energy: -232.016
where: short stacking energy: -132.721
Base-Backbone interact. energy: 3.426
local terms energy: -184.410300
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1125.232212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.232212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.232212 (E_RNA)
where:
Base-Base interactions energy: -794.190
where: short stacking energy: -332.129
Base-Backbone interact. energy: 0.087
local terms energy: -331.128709
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -63.379
flat angles C4'-P-C4' energy: -72.476
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -97.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1116.837136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.837136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.837136 (E_RNA)
where:
Base-Base interactions energy: -781.070
where: short stacking energy: -338.481
Base-Backbone interact. energy: -1.043
local terms energy: -334.724561
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -54.012
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -101.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1051.886553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.886553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.886553 (E_RNA)
where:
Base-Base interactions energy: -755.295
where: short stacking energy: -311.398
Base-Backbone interact. energy: -1.582
local terms energy: -295.009383
where:
bonds (distance) C4'-P energy: -59.678
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -80.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1005.863405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.863405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.863405 (E_RNA)
where:
Base-Base interactions energy: -677.414
where: short stacking energy: -294.908
Base-Backbone interact. energy: -0.485
local terms energy: -327.964517
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -64.152
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -82.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -982.021321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.021321 (E_RNA)
where:
Base-Base interactions energy: -688.397
where: short stacking energy: -311.843
Base-Backbone interact. energy: 1.048
local terms energy: -294.672293
where:
bonds (distance) C4'-P energy: -53.957
bonds (distance) P-C4' energy: -39.952
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -43.847
tors. eta vs tors. theta energy: -92.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -997.033925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.033925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.033925 (E_RNA)
where:
Base-Base interactions energy: -694.269
where: short stacking energy: -318.175
Base-Backbone interact. energy: -0.845
local terms energy: -301.920025
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -91.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -792.867689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.867689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.867689 (E_RNA)
where:
Base-Base interactions energy: -539.734
where: short stacking energy: -220.315
Base-Backbone interact. energy: 1.329
local terms energy: -254.462669
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -54.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -739.587615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.587615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.587615 (E_RNA)
where:
Base-Base interactions energy: -493.570
where: short stacking energy: -226.737
Base-Backbone interact. energy: -0.739
local terms energy: -245.279095
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -53.247
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -60.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -553.109603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.109603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.109603 (E_RNA)
where:
Base-Base interactions energy: -354.959
where: short stacking energy: -166.822
Base-Backbone interact. energy: -0.093
local terms energy: -198.058125
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -51.219
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -34.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -443.226851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.226851 (E_RNA)
where:
Base-Base interactions energy: -260.686
where: short stacking energy: -126.292
Base-Backbone interact. energy: -3.035
local terms energy: -179.505577
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -51.936
flat angles C4'-P-C4' energy: -45.023
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1106.957600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.957600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.957600 (E_RNA)
where:
Base-Base interactions energy: -781.204
where: short stacking energy: -327.466
Base-Backbone interact. energy: -1.712
local terms energy: -324.042273
where:
bonds (distance) C4'-P energy: -61.432
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -69.460
flat angles P-C4'-P energy: -43.926
tors. eta vs tors. theta energy: -93.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1108.272511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.272511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.272511 (E_RNA)
where:
Base-Base interactions energy: -782.119
where: short stacking energy: -326.100
Base-Backbone interact. energy: -0.738
local terms energy: -325.415771
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -71.526
flat angles P-C4'-P energy: -39.022
tors. eta vs tors. theta energy: -99.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1062.491415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.491415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.491415 (E_RNA)
where:
Base-Base interactions energy: -738.382
where: short stacking energy: -319.606
Base-Backbone interact. energy: 0.623
local terms energy: -324.731658
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -49.514
tors. eta vs tors. theta energy: -89.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1004.227744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.227744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.227744 (E_RNA)
where:
Base-Base interactions energy: -710.413
where: short stacking energy: -309.497
Base-Backbone interact. energy: -0.856
local terms energy: -292.958526
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -67.035
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -78.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -997.876377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.876377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.876377 (E_RNA)
where:
Base-Base interactions energy: -693.351
where: short stacking energy: -288.834
Base-Backbone interact. energy: 0.340
local terms energy: -304.864578
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -63.910
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -85.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -948.948259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.948259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.948259 (E_RNA)
where:
Base-Base interactions energy: -674.821
where: short stacking energy: -270.172
Base-Backbone interact. energy: 3.161
local terms energy: -277.288741
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -67.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -795.766274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.766274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.766274 (E_RNA)
where:
Base-Base interactions energy: -557.817
where: short stacking energy: -234.900
Base-Backbone interact. energy: -1.475
local terms energy: -236.475076
where:
bonds (distance) C4'-P energy: -52.899
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -53.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -727.820548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.820548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.820548 (E_RNA)
where:
Base-Base interactions energy: -506.955
where: short stacking energy: -206.858
Base-Backbone interact. energy: 6.153
local terms energy: -227.018398
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -53.100
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -36.372
tors. eta vs tors. theta energy: -48.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -614.021597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.021597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.021597 (E_RNA)
where:
Base-Base interactions energy: -382.872
where: short stacking energy: -172.072
Base-Backbone interact. energy: 1.296
local terms energy: -232.445766
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -58.562
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -37.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -441.204038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.204038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.204038 (E_RNA)
where:
Base-Base interactions energy: -257.790
where: short stacking energy: -120.948
Base-Backbone interact. energy: -0.370
local terms energy: -183.043796
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1140.576744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.576744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.576744 (E_RNA)
where:
Base-Base interactions energy: -789.645
where: short stacking energy: -342.271
Base-Backbone interact. energy: -0.949
local terms energy: -349.983257
where:
bonds (distance) C4'-P energy: -67.273
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -99.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1100.070906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.070906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.070906 (E_RNA)
where:
Base-Base interactions energy: -779.562
where: short stacking energy: -323.779
Base-Backbone interact. energy: -0.227
local terms energy: -320.281674
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -64.481
flat angles C4'-P-C4' energy: -67.393
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -85.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1076.616658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.616658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.616658 (E_RNA)
where:
Base-Base interactions energy: -757.304
where: short stacking energy: -320.705
Base-Backbone interact. energy: -2.186
local terms energy: -317.126654
where:
bonds (distance) C4'-P energy: -57.245
bonds (distance) P-C4' energy: -63.875
flat angles C4'-P-C4' energy: -61.446
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -94.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -995.924354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.924354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.924354 (E_RNA)
where:
Base-Base interactions energy: -682.614
where: short stacking energy: -305.000
Base-Backbone interact. energy: 0.583
local terms energy: -313.893021
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -50.082
tors. eta vs tors. theta energy: -87.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1004.561044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.561044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.561044 (E_RNA)
where:
Base-Base interactions energy: -723.168
where: short stacking energy: -307.679
Base-Backbone interact. energy: -0.434
local terms energy: -280.959143
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -62.100
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -84.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -973.120741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.120741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120741 (E_RNA)
where:
Base-Base interactions energy: -674.881
where: short stacking energy: -278.883
Base-Backbone interact. energy: -1.576
local terms energy: -296.663457
where:
bonds (distance) C4'-P energy: -50.140
bonds (distance) P-C4' energy: -56.937
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -50.470
tors. eta vs tors. theta energy: -74.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -797.384863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.384863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.384863 (E_RNA)
where:
Base-Base interactions energy: -544.677
where: short stacking energy: -240.966
Base-Backbone interact. energy: -0.816
local terms energy: -251.892437
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -58.711
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -64.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -808.532926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.532926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.532926 (E_RNA)
where:
Base-Base interactions energy: -562.810
where: short stacking energy: -239.616
Base-Backbone interact. energy: -1.772
local terms energy: -243.951114
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -54.089
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -50.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -597.277157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.277157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.277157 (E_RNA)
where:
Base-Base interactions energy: -369.779
where: short stacking energy: -165.513
Base-Backbone interact. energy: 1.181
local terms energy: -228.679655
where:
bonds (distance) C4'-P energy: -56.968
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -32.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -432.886896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.886896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.886896 (E_RNA)
where:
Base-Base interactions energy: -243.158
where: short stacking energy: -121.814
Base-Backbone interact. energy: -0.347
local terms energy: -189.381987
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -49.890
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1136.909319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.909319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.909319 (E_RNA)
where:
Base-Base interactions energy: -795.043
where: short stacking energy: -336.310
Base-Backbone interact. energy: -0.626
local terms energy: -341.240867
where:
bonds (distance) C4'-P energy: -56.930
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -102.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1098.634143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.634143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.634143 (E_RNA)
where:
Base-Base interactions energy: -768.656
where: short stacking energy: -307.438
Base-Backbone interact. energy: -0.322
local terms energy: -329.655897
where:
bonds (distance) C4'-P energy: -68.643
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -92.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1050.538189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.538189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.538189 (E_RNA)
where:
Base-Base interactions energy: -730.765
where: short stacking energy: -307.224
Base-Backbone interact. energy: -1.883
local terms energy: -317.890153
where:
bonds (distance) C4'-P energy: -57.052
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -66.892
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -87.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1009.883331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.883331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.883331 (E_RNA)
where:
Base-Base interactions energy: -683.534
where: short stacking energy: -297.063
Base-Backbone interact. energy: -0.158
local terms energy: -326.191319
where:
bonds (distance) C4'-P energy: -60.632
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -95.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -990.059169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.059169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.059169 (E_RNA)
where:
Base-Base interactions energy: -688.337
where: short stacking energy: -286.827
Base-Backbone interact. energy: -0.717
local terms energy: -301.005903
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -62.691
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -82.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -959.726583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.726583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.726583 (E_RNA)
where:
Base-Base interactions energy: -673.431
where: short stacking energy: -277.727
Base-Backbone interact. energy: -2.019
local terms energy: -284.275845
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -47.116
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -775.105044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.105044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.105044 (E_RNA)
where:
Base-Base interactions energy: -528.884
where: short stacking energy: -228.560
Base-Backbone interact. energy: 2.434
local terms energy: -248.655244
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -56.729
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -52.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -806.482618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.482618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.482618 (E_RNA)
where:
Base-Base interactions energy: -578.001
where: short stacking energy: -246.265
Base-Backbone interact. energy: -1.589
local terms energy: -226.892060
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -62.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -594.316995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.316995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.316995 (E_RNA)
where:
Base-Base interactions energy: -378.566
where: short stacking energy: -177.457
Base-Backbone interact. energy: -1.042
local terms energy: -214.709489
where:
bonds (distance) C4'-P energy: -47.412
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -19.025
tors. eta vs tors. theta energy: -36.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -425.053005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.053005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.053005 (E_RNA)
where:
Base-Base interactions energy: -244.752
where: short stacking energy: -130.306
Base-Backbone interact. energy: 0.678
local terms energy: -180.979297
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -49.293
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1126.285854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.285854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.285854 (E_RNA)
where:
Base-Base interactions energy: -792.720
where: short stacking energy: -326.810
Base-Backbone interact. energy: 0.024
local terms energy: -333.589303
where:
bonds (distance) C4'-P energy: -64.979
bonds (distance) P-C4' energy: -64.267
flat angles C4'-P-C4' energy: -67.540
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: -91.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1102.750812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.750812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.750812 (E_RNA)
where:
Base-Base interactions energy: -788.051
where: short stacking energy: -329.888
Base-Backbone interact. energy: -1.864
local terms energy: -312.835317
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -61.559
flat angles C4'-P-C4' energy: -62.775
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -88.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1065.729800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.729800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.729800 (E_RNA)
where:
Base-Base interactions energy: -761.174
where: short stacking energy: -325.607
Base-Backbone interact. energy: -1.424
local terms energy: -303.131215
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -62.699
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -89.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1014.450072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.450072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.450072 (E_RNA)
where:
Base-Base interactions energy: -702.471
where: short stacking energy: -311.430
Base-Backbone interact. energy: -2.092
local terms energy: -309.886934
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -51.297
flat angles C4'-P-C4' energy: -66.774
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -962.891568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.891568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.891568 (E_RNA)
where:
Base-Base interactions energy: -663.652
where: short stacking energy: -265.468
Base-Backbone interact. energy: -1.010
local terms energy: -298.229085
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -60.302
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -72.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -980.938183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.938183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.938183 (E_RNA)
where:
Base-Base interactions energy: -686.714
where: short stacking energy: -290.407
Base-Backbone interact. energy: -0.602
local terms energy: -293.621502
where:
bonds (distance) C4'-P energy: -55.243
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -89.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -858.626586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.626586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.626586 (E_RNA)
where:
Base-Base interactions energy: -587.867
where: short stacking energy: -252.529
Base-Backbone interact. energy: -1.946
local terms energy: -268.813600
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -45.298
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -73.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -761.512970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.512970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.512970 (E_RNA)
where:
Base-Base interactions energy: -506.330
where: short stacking energy: -231.779
Base-Backbone interact. energy: -1.142
local terms energy: -254.041024
where:
bonds (distance) C4'-P energy: -58.193
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -34.842
tors. eta vs tors. theta energy: -54.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -624.420265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.420265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.420265 (E_RNA)
where:
Base-Base interactions energy: -392.571
where: short stacking energy: -168.249
Base-Backbone interact. energy: -1.436
local terms energy: -230.412836
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -52.773
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -473.131966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.131966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.131966 (E_RNA)
where:
Base-Base interactions energy: -283.145
where: short stacking energy: -144.122
Base-Backbone interact. energy: -0.243
local terms energy: -189.743784
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1126.812884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.812884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.812884 (E_RNA)
where:
Base-Base interactions energy: -800.729
where: short stacking energy: -323.683
Base-Backbone interact. energy: 0.409
local terms energy: -326.492601
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -66.316
flat angles C4'-P-C4' energy: -68.055
flat angles P-C4'-P energy: -53.298
tors. eta vs tors. theta energy: -91.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1095.827946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.827946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.827946 (E_RNA)
where:
Base-Base interactions energy: -768.756
where: short stacking energy: -331.221
Base-Backbone interact. energy: -0.304
local terms energy: -326.767689
where:
bonds (distance) C4'-P energy: -62.775
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -69.192
flat angles P-C4'-P energy: -47.409
tors. eta vs tors. theta energy: -90.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1081.413706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.413706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.413706 (E_RNA)
where:
Base-Base interactions energy: -745.917
where: short stacking energy: -313.485
Base-Backbone interact. energy: -1.018
local terms energy: -334.479161
where:
bonds (distance) C4'-P energy: -63.370
bonds (distance) P-C4' energy: -65.206
flat angles C4'-P-C4' energy: -70.087
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -89.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1004.165885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.165885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.165885 (E_RNA)
where:
Base-Base interactions energy: -699.312
where: short stacking energy: -305.577
Base-Backbone interact. energy: 0.500
local terms energy: -305.353600
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -88.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -957.358817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.358817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.358817 (E_RNA)
where:
Base-Base interactions energy: -648.357
where: short stacking energy: -297.953
Base-Backbone interact. energy: -0.274
local terms energy: -308.727323
where:
bonds (distance) C4'-P energy: -58.343
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -85.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -996.683182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.683182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.683182 (E_RNA)
where:
Base-Base interactions energy: -701.876
where: short stacking energy: -301.234
Base-Backbone interact. energy: -0.300
local terms energy: -294.507978
where:
bonds (distance) C4'-P energy: -59.227
bonds (distance) P-C4' energy: -52.647
flat angles C4'-P-C4' energy: -57.083
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -89.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -840.269677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.269677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.269677 (E_RNA)
where:
Base-Base interactions energy: -564.628
where: short stacking energy: -248.290
Base-Backbone interact. energy: -0.370
local terms energy: -275.271703
where:
bonds (distance) C4'-P energy: -53.287
bonds (distance) P-C4' energy: -50.400
flat angles C4'-P-C4' energy: -62.243
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -68.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -772.774377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.774377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.774377 (E_RNA)
where:
Base-Base interactions energy: -518.079
where: short stacking energy: -238.662
Base-Backbone interact. energy: 0.002
local terms energy: -254.697960
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -34.302
tors. eta vs tors. theta energy: -61.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -605.994984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.994984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.994984 (E_RNA)
where:
Base-Base interactions energy: -385.832
where: short stacking energy: -188.588
Base-Backbone interact. energy: -1.316
local terms energy: -218.846907
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -58.824
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -35.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -406.891797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.891797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.891797 (E_RNA)
where:
Base-Base interactions energy: -228.608
where: short stacking energy: -121.596
Base-Backbone interact. energy: -0.445
local terms energy: -177.838596
where:
bonds (distance) C4'-P energy: -42.717
bonds (distance) P-C4' energy: -43.193
flat angles C4'-P-C4' energy: -54.377
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1133.194264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.194264 (E_RNA)
where:
Base-Base interactions energy: -796.170
where: short stacking energy: -339.974
Base-Backbone interact. energy: -0.384
local terms energy: -336.639583
where:
bonds (distance) C4'-P energy: -56.605
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -98.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1117.859714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.859714 (E_RNA)
where:
Base-Base interactions energy: -788.771
where: short stacking energy: -327.075
Base-Backbone interact. energy: -0.842
local terms energy: -328.247174
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -62.780
flat angles P-C4'-P energy: -50.455
tors. eta vs tors. theta energy: -98.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1084.442312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.442312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.442312 (E_RNA)
where:
Base-Base interactions energy: -773.972
where: short stacking energy: -318.958
Base-Backbone interact. energy: 0.379
local terms energy: -310.849337
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -62.511
flat angles P-C4'-P energy: -37.055
tors. eta vs tors. theta energy: -95.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -973.425092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.425092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.425092 (E_RNA)
where:
Base-Base interactions energy: -674.445
where: short stacking energy: -294.806
Base-Backbone interact. energy: -1.248
local terms energy: -297.732062
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -31.449
tors. eta vs tors. theta energy: -77.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -989.832445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.832445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.832445 (E_RNA)
where:
Base-Base interactions energy: -679.336
where: short stacking energy: -286.186
Base-Backbone interact. energy: 1.089
local terms energy: -311.585331
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -67.335
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -84.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -928.657547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.657547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.657547 (E_RNA)
where:
Base-Base interactions energy: -644.690
where: short stacking energy: -267.521
Base-Backbone interact. energy: -0.165
local terms energy: -283.802040
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -60.832
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: -69.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -828.658694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.658694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.658694 (E_RNA)
where:
Base-Base interactions energy: -582.202
where: short stacking energy: -244.397
Base-Backbone interact. energy: -0.613
local terms energy: -245.844412
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -48.182
flat angles C4'-P-C4' energy: -62.337
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -69.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -713.276860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.276860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.276860 (E_RNA)
where:
Base-Base interactions energy: -460.468
where: short stacking energy: -207.174
Base-Backbone interact. energy: -0.476
local terms energy: -252.333023
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -588.355274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.355274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.355274 (E_RNA)
where:
Base-Base interactions energy: -349.220
where: short stacking energy: -153.241
Base-Backbone interact. energy: -3.736
local terms energy: -235.398526
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -423.550866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.550866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.550866 (E_RNA)
where:
Base-Base interactions energy: -219.927
where: short stacking energy: -119.227
Base-Backbone interact. energy: -0.799
local terms energy: -202.824703
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -57.157
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1130.315600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.315600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.315600 (E_RNA)
where:
Base-Base interactions energy: -796.888
where: short stacking energy: -352.648
Base-Backbone interact. energy: -0.544
local terms energy: -332.883690
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -64.540
flat angles C4'-P-C4' energy: -68.627
flat angles P-C4'-P energy: -49.840
tors. eta vs tors. theta energy: -96.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1102.921656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.921656 (E_RNA)
where:
Base-Base interactions energy: -789.298
where: short stacking energy: -334.002
Base-Backbone interact. energy: -1.627
local terms energy: -311.996202
where:
bonds (distance) C4'-P energy: -50.352
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -99.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1053.074159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.074159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.074159 (E_RNA)
where:
Base-Base interactions energy: -741.654
where: short stacking energy: -303.208
Base-Backbone interact. energy: -1.240
local terms energy: -310.179930
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -62.832
flat angles C4'-P-C4' energy: -61.179
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -87.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1016.039150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.039150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.039150 (E_RNA)
where:
Base-Base interactions energy: -705.890
where: short stacking energy: -300.861
Base-Backbone interact. energy: -0.192
local terms energy: -309.956971
where:
bonds (distance) C4'-P energy: -64.727
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -65.874
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -88.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -955.499965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.499965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.499965 (E_RNA)
where:
Base-Base interactions energy: -648.404
where: short stacking energy: -288.604
Base-Backbone interact. energy: -1.056
local terms energy: -306.039712
where:
bonds (distance) C4'-P energy: -60.973
bonds (distance) P-C4' energy: -58.869
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -38.665
tors. eta vs tors. theta energy: -83.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -908.186609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.186609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.186609 (E_RNA)
where:
Base-Base interactions energy: -635.340
where: short stacking energy: -256.863
Base-Backbone interact. energy: -1.829
local terms energy: -271.016860
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -59.923
flat angles P-C4'-P energy: -38.919
tors. eta vs tors. theta energy: -72.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -845.696542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.696542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.696542 (E_RNA)
where:
Base-Base interactions energy: -592.083
where: short stacking energy: -240.979
Base-Backbone interact. energy: 0.743
local terms energy: -254.356294
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -50.902
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -63.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -706.825166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.825166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.825166 (E_RNA)
where:
Base-Base interactions energy: -450.246
where: short stacking energy: -224.589
Base-Backbone interact. energy: -1.023
local terms energy: -255.555897
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -62.206
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -61.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -512.877099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.877099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.877099 (E_RNA)
where:
Base-Base interactions energy: -303.332
where: short stacking energy: -145.649
Base-Backbone interact. energy: -1.498
local terms energy: -208.047085
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -56.669
flat angles C4'-P-C4' energy: -46.004
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -28.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -410.465133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.465133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.465133 (E_RNA)
where:
Base-Base interactions energy: -210.837
where: short stacking energy: -99.736
Base-Backbone interact. energy: 1.904
local terms energy: -201.531675
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -49.431
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1134.992088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.992088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.992088 (E_RNA)
where:
Base-Base interactions energy: -807.348
where: short stacking energy: -347.389
Base-Backbone interact. energy: -2.110
local terms energy: -325.534104
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -70.358
flat angles P-C4'-P energy: -43.934
tors. eta vs tors. theta energy: -97.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1137.829695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.829695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.829695 (E_RNA)
where:
Base-Base interactions energy: -788.906
where: short stacking energy: -341.848
Base-Backbone interact. energy: -0.797
local terms energy: -348.127138
where:
bonds (distance) C4'-P energy: -59.946
bonds (distance) P-C4' energy: -66.281
flat angles C4'-P-C4' energy: -71.794
flat angles P-C4'-P energy: -48.109
tors. eta vs tors. theta energy: -101.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1059.913995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.913995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.913995 (E_RNA)
where:
Base-Base interactions energy: -729.465
where: short stacking energy: -314.157
Base-Backbone interact. energy: -0.715
local terms energy: -329.734781
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -64.724
flat angles C4'-P-C4' energy: -67.793
flat angles P-C4'-P energy: -49.784
tors. eta vs tors. theta energy: -96.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1026.076176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.076176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.076176 (E_RNA)
where:
Base-Base interactions energy: -699.827
where: short stacking energy: -293.204
Base-Backbone interact. energy: -1.641
local terms energy: -324.608353
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -63.112
flat angles C4'-P-C4' energy: -67.763
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -81.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -954.970349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.970349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.970349 (E_RNA)
where:
Base-Base interactions energy: -658.874
where: short stacking energy: -284.798
Base-Backbone interact. energy: -0.849
local terms energy: -295.247148
where:
bonds (distance) C4'-P energy: -58.946
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -59.684
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -80.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -934.387659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.387659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.387659 (E_RNA)
where:
Base-Base interactions energy: -666.555
where: short stacking energy: -283.999
Base-Backbone interact. energy: -1.412
local terms energy: -266.420736
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -31.006
tors. eta vs tors. theta energy: -77.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -872.387790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.387790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.387790 (E_RNA)
where:
Base-Base interactions energy: -612.240
where: short stacking energy: -244.269
Base-Backbone interact. energy: -2.415
local terms energy: -257.733017
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -56.268
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -32.624
tors. eta vs tors. theta energy: -58.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -700.919920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.919920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.919920 (E_RNA)
where:
Base-Base interactions energy: -461.226
where: short stacking energy: -202.472
Base-Backbone interact. energy: -1.342
local terms energy: -238.351480
where:
bonds (distance) C4'-P energy: -59.181
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -51.381
flat angles P-C4'-P energy: -33.106
tors. eta vs tors. theta energy: -46.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -591.699761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.699761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.699761 (E_RNA)
where:
Base-Base interactions energy: -371.144
where: short stacking energy: -195.143
Base-Backbone interact. energy: -0.716
local terms energy: -219.840456
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -44.123
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -414.268606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.268606 (E_RNA)
where:
Base-Base interactions energy: -232.249
where: short stacking energy: -113.702
Base-Backbone interact. energy: -0.233
local terms energy: -181.785704
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1127.126070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.126070 (E_RNA)
where:
Base-Base interactions energy: -794.888
where: short stacking energy: -331.867
Base-Backbone interact. energy: -3.027
local terms energy: -329.210958
where:
bonds (distance) C4'-P energy: -59.319
bonds (distance) P-C4' energy: -64.919
flat angles C4'-P-C4' energy: -65.739
flat angles P-C4'-P energy: -47.650
tors. eta vs tors. theta energy: -91.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1139.033633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.033633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.033633 (E_RNA)
where:
Base-Base interactions energy: -807.535
where: short stacking energy: -343.375
Base-Backbone interact. energy: 1.665
local terms energy: -333.163921
where:
bonds (distance) C4'-P energy: -67.313
bonds (distance) P-C4' energy: -53.816
flat angles C4'-P-C4' energy: -66.472
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -100.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1053.908043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.908043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.908043 (E_RNA)
where:
Base-Base interactions energy: -722.690
where: short stacking energy: -315.397
Base-Backbone interact. energy: -0.317
local terms energy: -330.901159
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -60.858
flat angles C4'-P-C4' energy: -69.685
flat angles P-C4'-P energy: -45.797
tors. eta vs tors. theta energy: -93.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1067.254361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.254361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.254361 (E_RNA)
where:
Base-Base interactions energy: -753.810
where: short stacking energy: -312.473
Base-Backbone interact. energy: -2.817
local terms energy: -310.628016
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -69.140
flat angles P-C4'-P energy: -49.999
tors. eta vs tors. theta energy: -78.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -990.978912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.978912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.978912 (E_RNA)
where:
Base-Base interactions energy: -705.519
where: short stacking energy: -301.566
Base-Backbone interact. energy: 2.848
local terms energy: -288.307805
where:
bonds (distance) C4'-P energy: -47.406
bonds (distance) P-C4' energy: -52.381
flat angles C4'-P-C4' energy: -62.287
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -84.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -937.150343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.150343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.150343 (E_RNA)
where:
Base-Base interactions energy: -640.291
where: short stacking energy: -283.268
Base-Backbone interact. energy: -0.483
local terms energy: -296.375977
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -70.567
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -82.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -848.346774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.346774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.346774 (E_RNA)
where:
Base-Base interactions energy: -586.582
where: short stacking energy: -244.887
Base-Backbone interact. energy: -1.256
local terms energy: -260.508129
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: -69.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -544.780886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.780886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.780886 (E_RNA)
where:
Base-Base interactions energy: -325.921
where: short stacking energy: -154.377
Base-Backbone interact. energy: -0.591
local terms energy: -218.269643
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -50.392
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -37.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -642.434540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.434540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.434540 (E_RNA)
where:
Base-Base interactions energy: -409.140
where: short stacking energy: -203.291
Base-Backbone interact. energy: -0.946
local terms energy: -232.348850
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -400.170668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.170668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.170668 (E_RNA)
where:
Base-Base interactions energy: -226.017
where: short stacking energy: -142.295
Base-Backbone interact. energy: -0.538
local terms energy: -173.615311
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -47.505
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1145.087228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.087228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.087228 (E_RNA)
where:
Base-Base interactions energy: -805.933
where: short stacking energy: -338.015
Base-Backbone interact. energy: -0.961
local terms energy: -338.193720
where:
bonds (distance) C4'-P energy: -59.489
bonds (distance) P-C4' energy: -58.026
flat angles C4'-P-C4' energy: -71.687
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: -100.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1111.978739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.978739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.978739 (E_RNA)
where:
Base-Base interactions energy: -770.048
where: short stacking energy: -334.057
Base-Backbone interact. energy: -1.092
local terms energy: -340.838790
where:
bonds (distance) C4'-P energy: -62.769
bonds (distance) P-C4' energy: -63.910
flat angles C4'-P-C4' energy: -68.466
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -97.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1045.230186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.230186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.230186 (E_RNA)
where:
Base-Base interactions energy: -730.312
where: short stacking energy: -333.958
Base-Backbone interact. energy: -0.005
local terms energy: -314.913106
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -68.997
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -96.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1035.463352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.463352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.463352 (E_RNA)
where:
Base-Base interactions energy: -729.813
where: short stacking energy: -299.042
Base-Backbone interact. energy: -0.279
local terms energy: -305.371196
where:
bonds (distance) C4'-P energy: -55.872
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -68.644
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -82.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -942.616652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.616652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.616652 (E_RNA)
where:
Base-Base interactions energy: -660.988
where: short stacking energy: -286.113
Base-Backbone interact. energy: -1.038
local terms energy: -280.590620
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -69.140
flat angles P-C4'-P energy: -38.479
tors. eta vs tors. theta energy: -73.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -954.048611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.048611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.048611 (E_RNA)
where:
Base-Base interactions energy: -675.148
where: short stacking energy: -291.000
Base-Backbone interact. energy: -1.766
local terms energy: -277.134127
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -49.165
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -37.178
tors. eta vs tors. theta energy: -79.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -822.021195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.021195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.021195 (E_RNA)
where:
Base-Base interactions energy: -565.246
where: short stacking energy: -247.488
Base-Backbone interact. energy: 1.140
local terms energy: -257.915758
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -58.514
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -73.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -566.961863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.961863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.961863 (E_RNA)
where:
Base-Base interactions energy: -359.096
where: short stacking energy: -179.504
Base-Backbone interact. energy: 1.675
local terms energy: -209.540300
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -28.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -628.403093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.403093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.403093 (E_RNA)
where:
Base-Base interactions energy: -410.102
where: short stacking energy: -188.639
Base-Backbone interact. energy: -0.291
local terms energy: -218.010398
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -49.281
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -41.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -420.350903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.350903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.350903 (E_RNA)
where:
Base-Base interactions energy: -222.147
where: short stacking energy: -131.755
Base-Backbone interact. energy: -3.585
local terms energy: -194.619183
where:
bonds (distance) C4'-P energy: -57.403
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -36.160
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1137.973892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.973892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.973892 (E_RNA)
where:
Base-Base interactions energy: -797.314
where: short stacking energy: -333.450
Base-Backbone interact. energy: -0.502
local terms energy: -340.157267
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -62.577
flat angles C4'-P-C4' energy: -69.240
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -100.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1101.457747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.457747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.457747 (E_RNA)
where:
Base-Base interactions energy: -751.828
where: short stacking energy: -322.081
Base-Backbone interact. energy: -0.781
local terms energy: -348.848806
where:
bonds (distance) C4'-P energy: -68.222
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -74.080
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -94.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1035.354812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.354812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.354812 (E_RNA)
where:
Base-Base interactions energy: -720.203
where: short stacking energy: -319.384
Base-Backbone interact. energy: -1.290
local terms energy: -313.862051
where:
bonds (distance) C4'-P energy: -46.267
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -53.902
tors. eta vs tors. theta energy: -90.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1022.611634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.611634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.611634 (E_RNA)
where:
Base-Base interactions energy: -722.143
where: short stacking energy: -289.690
Base-Backbone interact. energy: -2.413
local terms energy: -298.055373
where:
bonds (distance) C4'-P energy: -55.318
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -64.694
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -82.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -952.755636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.755636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.755636 (E_RNA)
where:
Base-Base interactions energy: -651.460
where: short stacking energy: -294.669
Base-Backbone interact. energy: -1.316
local terms energy: -299.979789
where:
bonds (distance) C4'-P energy: -49.011
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -90.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -861.379667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.379667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.379667 (E_RNA)
where:
Base-Base interactions energy: -588.507
where: short stacking energy: -242.831
Base-Backbone interact. energy: -2.941
local terms energy: -269.931248
where:
bonds (distance) C4'-P energy: -49.891
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -923.347489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.347489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.347489 (E_RNA)
where:
Base-Base interactions energy: -645.303
where: short stacking energy: -274.714
Base-Backbone interact. energy: 1.176
local terms energy: -279.220352
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -49.098
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: -77.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -656.674993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.674993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.674993 (E_RNA)
where:
Base-Base interactions energy: -426.360
where: short stacking energy: -179.966
Base-Backbone interact. energy: 1.206
local terms energy: -231.520390
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -54.839
flat angles C4'-P-C4' energy: -63.811
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -38.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -573.931705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.931705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.931705 (E_RNA)
where:
Base-Base interactions energy: -354.566
where: short stacking energy: -163.028
Base-Backbone interact. energy: -1.033
local terms energy: -218.332656
where:
bonds (distance) C4'-P energy: -53.044
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -415.555489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.555489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.555489 (E_RNA)
where:
Base-Base interactions energy: -217.339
where: short stacking energy: -109.517
Base-Backbone interact. energy: -1.044
local terms energy: -197.172673
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1127.427046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.427046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.427046 (E_RNA)
where:
Base-Base interactions energy: -786.294
where: short stacking energy: -325.773
Base-Backbone interact. energy: -0.331
local terms energy: -340.801567
where:
bonds (distance) C4'-P energy: -62.943
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -98.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1111.710237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.710237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.710237 (E_RNA)
where:
Base-Base interactions energy: -788.398
where: short stacking energy: -342.719
Base-Backbone interact. energy: -1.265
local terms energy: -322.046880
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: -98.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1042.646282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.646282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.646282 (E_RNA)
where:
Base-Base interactions energy: -743.349
where: short stacking energy: -302.065
Base-Backbone interact. energy: -0.573
local terms energy: -298.723958
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -69.952
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -80.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1017.002206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.002206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.002206 (E_RNA)
where:
Base-Base interactions energy: -713.744
where: short stacking energy: -309.303
Base-Backbone interact. energy: -1.113
local terms energy: -302.144995
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -54.658
flat angles C4'-P-C4' energy: -64.194
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -91.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -967.786641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.786641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.786641 (E_RNA)
where:
Base-Base interactions energy: -662.381
where: short stacking energy: -290.227
Base-Backbone interact. energy: -2.147
local terms energy: -303.258048
where:
bonds (distance) C4'-P energy: -60.710
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -62.805
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -84.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -861.789214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.789214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.789214 (E_RNA)
where:
Base-Base interactions energy: -589.747
where: short stacking energy: -247.838
Base-Backbone interact. energy: 1.033
local terms energy: -273.076104
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -61.295
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -66.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -911.806143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.806143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.806143 (E_RNA)
where:
Base-Base interactions energy: -645.177
where: short stacking energy: -278.878
Base-Backbone interact. energy: -2.318
local terms energy: -264.311285
where:
bonds (distance) C4'-P energy: -51.330
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -75.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -713.954974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.954974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.954974 (E_RNA)
where:
Base-Base interactions energy: -471.952
where: short stacking energy: -216.670
Base-Backbone interact. energy: -0.138
local terms energy: -241.865148
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -48.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -667.659014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.659014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.659014 (E_RNA)
where:
Base-Base interactions energy: -438.256
where: short stacking energy: -181.902
Base-Backbone interact. energy: -0.500
local terms energy: -228.903027
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -29.449
tors. eta vs tors. theta energy: -42.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -404.577005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.577005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.577005 (E_RNA)
where:
Base-Base interactions energy: -217.606
where: short stacking energy: -116.543
Base-Backbone interact. energy: 0.015
local terms energy: -186.985380
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1131.095610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.095610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.095610 (E_RNA)
where:
Base-Base interactions energy: -816.626
where: short stacking energy: -332.862
Base-Backbone interact. energy: -0.849
local terms energy: -313.620590
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -54.890
flat angles C4'-P-C4' energy: -70.557
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -93.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1102.612316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.612316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.612316 (E_RNA)
where:
Base-Base interactions energy: -775.920
where: short stacking energy: -316.268
Base-Backbone interact. energy: -3.431
local terms energy: -323.261049
where:
bonds (distance) C4'-P energy: -54.841
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -76.675
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: -91.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1066.822419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.822419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.822419 (E_RNA)
where:
Base-Base interactions energy: -754.160
where: short stacking energy: -313.760
Base-Backbone interact. energy: -0.743
local terms energy: -311.919519
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -64.365
flat angles P-C4'-P energy: -41.989
tors. eta vs tors. theta energy: -86.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1034.116690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.116690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.116690 (E_RNA)
where:
Base-Base interactions energy: -728.248
where: short stacking energy: -320.318
Base-Backbone interact. energy: -0.254
local terms energy: -305.614232
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -56.378
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -44.484
tors. eta vs tors. theta energy: -89.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -979.727422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.727422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.727422 (E_RNA)
where:
Base-Base interactions energy: -700.225
where: short stacking energy: -279.137
Base-Backbone interact. energy: -0.648
local terms energy: -278.854876
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -51.499
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -76.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -962.521298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.521298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.521298 (E_RNA)
where:
Base-Base interactions energy: -672.895
where: short stacking energy: -295.900
Base-Backbone interact. energy: 0.280
local terms energy: -289.906317
where:
bonds (distance) C4'-P energy: -52.443
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -37.042
tors. eta vs tors. theta energy: -82.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -852.617782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.617782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.617782 (E_RNA)
where:
Base-Base interactions energy: -580.955
where: short stacking energy: -246.721
Base-Backbone interact. energy: -1.041
local terms energy: -270.620997
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -49.660
flat angles C4'-P-C4' energy: -63.147
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -71.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -674.210644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.210644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.210644 (E_RNA)
where:
Base-Base interactions energy: -445.600
where: short stacking energy: -189.605
Base-Backbone interact. energy: -1.399
local terms energy: -227.211747
where:
bonds (distance) C4'-P energy: -57.610
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -51.145
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -38.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -635.001482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.001482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.001482 (E_RNA)
where:
Base-Base interactions energy: -418.460
where: short stacking energy: -200.668
Base-Backbone interact. energy: -1.112
local terms energy: -215.429826
where:
bonds (distance) C4'-P energy: -48.681
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -54.404
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -34.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -444.263475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.263475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.263475 (E_RNA)
where:
Base-Base interactions energy: -246.840
where: short stacking energy: -151.073
Base-Backbone interact. energy: -1.475
local terms energy: -195.948488
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -43.441
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1113.282225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.282225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.282225 (E_RNA)
where:
Base-Base interactions energy: -777.290
where: short stacking energy: -328.368
Base-Backbone interact. energy: -1.628
local terms energy: -334.364740
where:
bonds (distance) C4'-P energy: -66.786
bonds (distance) P-C4' energy: -61.250
flat angles C4'-P-C4' energy: -68.248
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -92.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1110.234513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.234513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.234513 (E_RNA)
where:
Base-Base interactions energy: -779.674
where: short stacking energy: -335.341
Base-Backbone interact. energy: -0.748
local terms energy: -329.812776
where:
bonds (distance) C4'-P energy: -55.026
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -94.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1063.498890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.498890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.498890 (E_RNA)
where:
Base-Base interactions energy: -742.432
where: short stacking energy: -316.333
Base-Backbone interact. energy: 0.561
local terms energy: -321.628575
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -67.122
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -48.648
tors. eta vs tors. theta energy: -85.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1041.305925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.305925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.305925 (E_RNA)
where:
Base-Base interactions energy: -737.933
where: short stacking energy: -316.163
Base-Backbone interact. energy: 1.408
local terms energy: -304.780705
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -59.918
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -84.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -990.124906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.124906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.124906 (E_RNA)
where:
Base-Base interactions energy: -677.137
where: short stacking energy: -290.702
Base-Backbone interact. energy: 0.647
local terms energy: -313.635330
where:
bonds (distance) C4'-P energy: -61.520
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -69.481
flat angles P-C4'-P energy: -45.371
tors. eta vs tors. theta energy: -87.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -940.872377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.872377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.872377 (E_RNA)
where:
Base-Base interactions energy: -673.790
where: short stacking energy: -288.961
Base-Backbone interact. energy: -1.134
local terms energy: -265.949030
where:
bonds (distance) C4'-P energy: -38.968
bonds (distance) P-C4' energy: -43.973
flat angles C4'-P-C4' energy: -63.059
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -78.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -823.114795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.114795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.114795 (E_RNA)
where:
Base-Base interactions energy: -548.757
where: short stacking energy: -233.123
Base-Backbone interact. energy: -1.968
local terms energy: -272.389758
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -55.144
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -57.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -683.113127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.113127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.113127 (E_RNA)
where:
Base-Base interactions energy: -434.919
where: short stacking energy: -226.111
Base-Backbone interact. energy: 0.310
local terms energy: -248.504066
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -53.303
flat angles C4'-P-C4' energy: -60.605
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -51.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -622.568651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.568651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.568651 (E_RNA)
where:
Base-Base interactions energy: -424.640
where: short stacking energy: -166.508
Base-Backbone interact. energy: 1.176
local terms energy: -199.105467
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -28.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -417.457132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.457132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.457132 (E_RNA)
where:
Base-Base interactions energy: -238.592
where: short stacking energy: -135.481
Base-Backbone interact. energy: -1.717
local terms energy: -177.147394
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1115.572054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.572054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.572054 (E_RNA)
where:
Base-Base interactions energy: -780.521
where: short stacking energy: -318.023
Base-Backbone interact. energy: -0.414
local terms energy: -334.637826
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -64.561
flat angles C4'-P-C4' energy: -71.303
flat angles P-C4'-P energy: -45.718
tors. eta vs tors. theta energy: -91.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1122.062624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.062624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.062624 (E_RNA)
where:
Base-Base interactions energy: -786.419
where: short stacking energy: -350.284
Base-Backbone interact. energy: 1.039
local terms energy: -336.683041
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -61.911
flat angles C4'-P-C4' energy: -69.657
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -101.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1063.059436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.059436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.059436 (E_RNA)
where:
Base-Base interactions energy: -731.409
where: short stacking energy: -290.954
Base-Backbone interact. energy: -1.932
local terms energy: -329.717727
where:
bonds (distance) C4'-P energy: -61.114
bonds (distance) P-C4' energy: -70.436
flat angles C4'-P-C4' energy: -72.568
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -85.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1037.446490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.446490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.446490 (E_RNA)
where:
Base-Base interactions energy: -733.837
where: short stacking energy: -298.615
Base-Backbone interact. energy: -1.222
local terms energy: -302.387805
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -76.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -964.579623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.579623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.579623 (E_RNA)
where:
Base-Base interactions energy: -662.356
where: short stacking energy: -296.739
Base-Backbone interact. energy: -2.200
local terms energy: -300.023393
where:
bonds (distance) C4'-P energy: -63.744
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -52.928
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -89.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -967.409649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.409649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.409649 (E_RNA)
where:
Base-Base interactions energy: -674.339
where: short stacking energy: -294.373
Base-Backbone interact. energy: 2.407
local terms energy: -295.476964
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -64.939
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -34.295
tors. eta vs tors. theta energy: -88.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -833.434405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.434405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.434405 (E_RNA)
where:
Base-Base interactions energy: -576.993
where: short stacking energy: -239.668
Base-Backbone interact. energy: -2.127
local terms energy: -254.314131
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -48.612
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -61.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -647.918087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.918087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.918087 (E_RNA)
where:
Base-Base interactions energy: -404.026
where: short stacking energy: -184.624
Base-Backbone interact. energy: 0.155
local terms energy: -244.046523
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -57.348
flat angles C4'-P-C4' energy: -51.855
flat angles P-C4'-P energy: -41.805
tors. eta vs tors. theta energy: -43.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -663.698627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.698627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.698627 (E_RNA)
where:
Base-Base interactions energy: -416.573
where: short stacking energy: -214.435
Base-Backbone interact. energy: 1.283
local terms energy: -248.408372
where:
bonds (distance) C4'-P energy: -59.163
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -56.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -391.423063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.423063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.423063 (E_RNA)
where:
Base-Base interactions energy: -224.812
where: short stacking energy: -122.614
Base-Backbone interact. energy: 1.844
local terms energy: -168.454413
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1125.489444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.489444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.489444 (E_RNA)
where:
Base-Base interactions energy: -792.997
where: short stacking energy: -330.230
Base-Backbone interact. energy: -0.704
local terms energy: -331.787734
where:
bonds (distance) C4'-P energy: -60.160
bonds (distance) P-C4' energy: -56.631
flat angles C4'-P-C4' energy: -68.955
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -99.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1123.329893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.329893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.329893 (E_RNA)
where:
Base-Base interactions energy: -796.205
where: short stacking energy: -339.441
Base-Backbone interact. energy: -0.924
local terms energy: -326.201042
where:
bonds (distance) C4'-P energy: -54.322
bonds (distance) P-C4' energy: -66.699
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -91.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1070.922812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.922812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.922812 (E_RNA)
where:
Base-Base interactions energy: -758.876
where: short stacking energy: -328.599
Base-Backbone interact. energy: -0.546
local terms energy: -311.500811
where:
bonds (distance) C4'-P energy: -62.065
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -84.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1041.667295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.667295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.667295 (E_RNA)
where:
Base-Base interactions energy: -739.133
where: short stacking energy: -291.966
Base-Backbone interact. energy: -0.326
local terms energy: -302.208978
where:
bonds (distance) C4'-P energy: -54.960
bonds (distance) P-C4' energy: -66.847
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -84.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -978.505483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.505483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.505483 (E_RNA)
where:
Base-Base interactions energy: -677.504
where: short stacking energy: -302.191
Base-Backbone interact. energy: -0.465
local terms energy: -300.535870
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -48.658
flat angles C4'-P-C4' energy: -66.940
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -90.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -938.770727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.770727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.770727 (E_RNA)
where:
Base-Base interactions energy: -663.144
where: short stacking energy: -271.414
Base-Backbone interact. energy: -0.521
local terms energy: -275.106680
where:
bonds (distance) C4'-P energy: -38.848
bonds (distance) P-C4' energy: -56.616
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -75.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -807.842203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.842203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.842203 (E_RNA)
where:
Base-Base interactions energy: -553.003
where: short stacking energy: -222.487
Base-Backbone interact. energy: -1.310
local terms energy: -253.528428
where:
bonds (distance) C4'-P energy: -57.780
bonds (distance) P-C4' energy: -51.784
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -57.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -651.574047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.574047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.574047 (E_RNA)
where:
Base-Base interactions energy: -443.180
where: short stacking energy: -208.043
Base-Backbone interact. energy: -2.571
local terms energy: -205.823051
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -635.175082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.175082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.175082 (E_RNA)
where:
Base-Base interactions energy: -441.382
where: short stacking energy: -192.312
Base-Backbone interact. energy: -2.157
local terms energy: -191.635389
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -52.311
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -30.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -406.683721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.683721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.683721 (E_RNA)
where:
Base-Base interactions energy: -229.842
where: short stacking energy: -128.586
Base-Backbone interact. energy: 0.705
local terms energy: -177.546318
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1155.842183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.842183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.842183 (E_RNA)
where:
Base-Base interactions energy: -815.856
where: short stacking energy: -342.432
Base-Backbone interact. energy: -0.659
local terms energy: -339.327050
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -67.466
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -99.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1095.592650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.592650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.592650 (E_RNA)
where:
Base-Base interactions energy: -782.535
where: short stacking energy: -326.829
Base-Backbone interact. energy: -1.686
local terms energy: -311.371699
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -69.523
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -93.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1061.480285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.480285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.480285 (E_RNA)
where:
Base-Base interactions energy: -734.176
where: short stacking energy: -298.989
Base-Backbone interact. energy: -1.877
local terms energy: -325.427075
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -68.993
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -95.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1017.828366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.828366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.828366 (E_RNA)
where:
Base-Base interactions energy: -736.345
where: short stacking energy: -296.161
Base-Backbone interact. energy: 0.104
local terms energy: -281.587773
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -54.538
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -77.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -969.571415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.571415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.571415 (E_RNA)
where:
Base-Base interactions energy: -666.507
where: short stacking energy: -293.271
Base-Backbone interact. energy: -1.535
local terms energy: -301.529535
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -58.177
flat angles C4'-P-C4' energy: -56.175
flat angles P-C4'-P energy: -42.190
tors. eta vs tors. theta energy: -90.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -960.099688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.099688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.099688 (E_RNA)
where:
Base-Base interactions energy: -675.450
where: short stacking energy: -293.003
Base-Backbone interact. energy: -0.610
local terms energy: -284.039794
where:
bonds (distance) C4'-P energy: -49.513
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -77.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -787.745497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.745497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.745497 (E_RNA)
where:
Base-Base interactions energy: -520.014
where: short stacking energy: -219.912
Base-Backbone interact. energy: -0.720
local terms energy: -267.011562
where:
bonds (distance) C4'-P energy: -53.538
bonds (distance) P-C4' energy: -62.815
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -56.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -636.315202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.315202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.315202 (E_RNA)
where:
Base-Base interactions energy: -403.811
where: short stacking energy: -184.071
Base-Backbone interact. energy: 0.225
local terms energy: -232.729680
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -645.553809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.553809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.553809 (E_RNA)
where:
Base-Base interactions energy: -415.301
where: short stacking energy: -193.590
Base-Backbone interact. energy: -1.888
local terms energy: -228.364418
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -53.961
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -408.150914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.150914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.150914 (E_RNA)
where:
Base-Base interactions energy: -227.973
where: short stacking energy: -117.798
Base-Backbone interact. energy: -0.838
local terms energy: -179.339251
where:
bonds (distance) C4'-P energy: -54.148
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1120.061459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.061459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.061459 (E_RNA)
where:
Base-Base interactions energy: -793.869
where: short stacking energy: -325.125
Base-Backbone interact. energy: -2.886
local terms energy: -323.307345
where:
bonds (distance) C4'-P energy: -59.998
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: -90.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1139.990593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.990593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.990593 (E_RNA)
where:
Base-Base interactions energy: -790.355
where: short stacking energy: -339.695
Base-Backbone interact. energy: -0.443
local terms energy: -349.191907
where:
bonds (distance) C4'-P energy: -67.479
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -66.489
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -100.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1092.374088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.374088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.374088 (E_RNA)
where:
Base-Base interactions energy: -764.213
where: short stacking energy: -321.074
Base-Backbone interact. energy: 0.412
local terms energy: -328.573264
where:
bonds (distance) C4'-P energy: -65.259
bonds (distance) P-C4' energy: -67.270
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1057.527380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.527380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.527380 (E_RNA)
where:
Base-Base interactions energy: -746.112
where: short stacking energy: -318.080
Base-Backbone interact. energy: 0.339
local terms energy: -311.753964
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -56.095
flat angles C4'-P-C4' energy: -60.992
flat angles P-C4'-P energy: -45.086
tors. eta vs tors. theta energy: -93.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -977.970121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.970121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.970121 (E_RNA)
where:
Base-Base interactions energy: -672.362
where: short stacking energy: -300.831
Base-Backbone interact. energy: -1.480
local terms energy: -304.127823
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -65.069
flat angles C4'-P-C4' energy: -65.689
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -85.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -964.774261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.774261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.774261 (E_RNA)
where:
Base-Base interactions energy: -690.218
where: short stacking energy: -293.535
Base-Backbone interact. energy: 2.959
local terms energy: -277.514613
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -66.896
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -80.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -825.410167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.410167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.410167 (E_RNA)
where:
Base-Base interactions energy: -558.518
where: short stacking energy: -251.262
Base-Backbone interact. energy: 1.123
local terms energy: -268.014798
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -59.626
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -69.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -698.425309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.425309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.425309 (E_RNA)
where:
Base-Base interactions energy: -463.601
where: short stacking energy: -217.324
Base-Backbone interact. energy: -1.819
local terms energy: -233.004643
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -60.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -669.553120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.553120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.553120 (E_RNA)
where:
Base-Base interactions energy: -436.261
where: short stacking energy: -192.894
Base-Backbone interact. energy: -1.082
local terms energy: -232.209670
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -45.893
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -424.039013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.039013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.039013 (E_RNA)
where:
Base-Base interactions energy: -241.786
where: short stacking energy: -128.457
Base-Backbone interact. energy: -1.350
local terms energy: -180.903642
where:
bonds (distance) C4'-P energy: -42.523
bonds (distance) P-C4' energy: -49.439
flat angles C4'-P-C4' energy: -49.384
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1116.821524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.821524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.821524 (E_RNA)
where:
Base-Base interactions energy: -793.083
where: short stacking energy: -326.537
Base-Backbone interact. energy: -1.416
local terms energy: -322.322060
where:
bonds (distance) C4'-P energy: -59.193
bonds (distance) P-C4' energy: -56.668
flat angles C4'-P-C4' energy: -66.830
flat angles P-C4'-P energy: -45.949
tors. eta vs tors. theta energy: -93.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1107.441046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.441046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.441046 (E_RNA)
where:
Base-Base interactions energy: -785.405
where: short stacking energy: -330.566
Base-Backbone interact. energy: -0.087
local terms energy: -321.949027
where:
bonds (distance) C4'-P energy: -53.482
bonds (distance) P-C4' energy: -59.369
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -97.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1071.281898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.281898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.281898 (E_RNA)
where:
Base-Base interactions energy: -741.882
where: short stacking energy: -318.065
Base-Backbone interact. energy: -0.818
local terms energy: -328.581730
where:
bonds (distance) C4'-P energy: -58.846
bonds (distance) P-C4' energy: -61.141
flat angles C4'-P-C4' energy: -71.855
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -92.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1066.717294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.717294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.717294 (E_RNA)
where:
Base-Base interactions energy: -741.141
where: short stacking energy: -310.677
Base-Backbone interact. energy: -1.995
local terms energy: -323.581049
where:
bonds (distance) C4'-P energy: -69.660
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -88.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -979.001233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.001233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.001233 (E_RNA)
where:
Base-Base interactions energy: -674.745
where: short stacking energy: -308.868
Base-Backbone interact. energy: -0.415
local terms energy: -303.840891
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -69.247
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -85.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -942.211909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.211909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.211909 (E_RNA)
where:
Base-Base interactions energy: -635.154
where: short stacking energy: -273.803
Base-Backbone interact. energy: -0.003
local terms energy: -307.054323
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -52.134
flat angles C4'-P-C4' energy: -64.094
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -82.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -773.119438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.119438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.119438 (E_RNA)
where:
Base-Base interactions energy: -526.785
where: short stacking energy: -231.609
Base-Backbone interact. energy: -1.254
local terms energy: -245.080144
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -61.081
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -55.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -692.611538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.611538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.611538 (E_RNA)
where:
Base-Base interactions energy: -450.995
where: short stacking energy: -196.666
Base-Backbone interact. energy: -1.643
local terms energy: -239.973581
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -54.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -693.038864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.038864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.038864 (E_RNA)
where:
Base-Base interactions energy: -468.212
where: short stacking energy: -205.784
Base-Backbone interact. energy: 0.824
local terms energy: -225.651451
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -46.895
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -40.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -416.744325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.744325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.744325 (E_RNA)
where:
Base-Base interactions energy: -221.344
where: short stacking energy: -118.970
Base-Backbone interact. energy: -2.453
local terms energy: -192.946786
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -35.948
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1121.549087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.549087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.549087 (E_RNA)
where:
Base-Base interactions energy: -787.359
where: short stacking energy: -324.029
Base-Backbone interact. energy: -1.532
local terms energy: -332.658795
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -72.486
flat angles P-C4'-P energy: -45.173
tors. eta vs tors. theta energy: -92.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1113.662088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.662088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.662088 (E_RNA)
where:
Base-Base interactions energy: -775.625
where: short stacking energy: -343.668
Base-Backbone interact. energy: -1.272
local terms energy: -336.764752
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -61.232
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -101.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1060.608013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.608013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.608013 (E_RNA)
where:
Base-Base interactions energy: -744.666
where: short stacking energy: -304.135
Base-Backbone interact. energy: 1.227
local terms energy: -317.169656
where:
bonds (distance) C4'-P energy: -60.681
bonds (distance) P-C4' energy: -54.400
flat angles C4'-P-C4' energy: -67.754
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -91.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1052.576676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.576676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.576676 (E_RNA)
where:
Base-Base interactions energy: -757.733
where: short stacking energy: -325.888
Base-Backbone interact. energy: -0.361
local terms energy: -294.482383
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -45.925
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -89.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -961.909807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.909807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.909807 (E_RNA)
where:
Base-Base interactions energy: -652.164
where: short stacking energy: -294.297
Base-Backbone interact. energy: -0.843
local terms energy: -308.902621
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -92.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -932.077013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.077013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.077013 (E_RNA)
where:
Base-Base interactions energy: -650.136
where: short stacking energy: -275.993
Base-Backbone interact. energy: -1.099
local terms energy: -280.841186
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -784.311022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.311022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.311022 (E_RNA)
where:
Base-Base interactions energy: -527.329
where: short stacking energy: -230.663
Base-Backbone interact. energy: -1.724
local terms energy: -255.257942
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -52.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -678.641597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.641597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.641597 (E_RNA)
where:
Base-Base interactions energy: -438.501
where: short stacking energy: -192.691
Base-Backbone interact. energy: -0.247
local terms energy: -239.893837
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -62.525
flat angles C4'-P-C4' energy: -47.883
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: -49.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -661.475522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.475522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.475522 (E_RNA)
where:
Base-Base interactions energy: -452.816
where: short stacking energy: -196.098
Base-Backbone interact. energy: -0.939
local terms energy: -207.721277
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -52.737
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -40.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -406.713599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.713599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.713599 (E_RNA)
where:
Base-Base interactions energy: -245.518
where: short stacking energy: -134.202
Base-Backbone interact. energy: 1.203
local terms energy: -162.398630
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -44.139
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1141.364290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.364290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.364290 (E_RNA)
where:
Base-Base interactions energy: -808.883
where: short stacking energy: -345.292
Base-Backbone interact. energy: 1.323
local terms energy: -333.805097
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -71.395
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -103.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1123.021699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.021699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.021699 (E_RNA)
where:
Base-Base interactions energy: -802.783
where: short stacking energy: -342.159
Base-Backbone interact. energy: -1.430
local terms energy: -318.808390
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -71.200
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -95.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1085.098461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.098461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.098461 (E_RNA)
where:
Base-Base interactions energy: -771.320
where: short stacking energy: -327.075
Base-Backbone interact. energy: -2.235
local terms energy: -311.543483
where:
bonds (distance) C4'-P energy: -60.202
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -63.685
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -91.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1059.657443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.657443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.657443 (E_RNA)
where:
Base-Base interactions energy: -745.961
where: short stacking energy: -311.874
Base-Backbone interact. energy: -2.446
local terms energy: -311.250315
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -75.017
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -89.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -982.137600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.137600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.137600 (E_RNA)
where:
Base-Base interactions energy: -679.305
where: short stacking energy: -284.712
Base-Backbone interact. energy: -2.124
local terms energy: -300.708687
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -61.558
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -82.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -945.106940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.106940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.106940 (E_RNA)
where:
Base-Base interactions energy: -644.174
where: short stacking energy: -286.691
Base-Backbone interact. energy: -0.200
local terms energy: -300.733326
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -43.419
flat angles C4'-P-C4' energy: -65.211
flat angles P-C4'-P energy: -46.728
tors. eta vs tors. theta energy: -86.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -794.605033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.605033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.605033 (E_RNA)
where:
Base-Base interactions energy: -541.434
where: short stacking energy: -252.403
Base-Backbone interact. energy: 0.238
local terms energy: -253.409408
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -62.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -663.277078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.277078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.277078 (E_RNA)
where:
Base-Base interactions energy: -423.805
where: short stacking energy: -200.023
Base-Backbone interact. energy: 0.702
local terms energy: -240.174086
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -42.494
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -576.025412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.025412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.025412 (E_RNA)
where:
Base-Base interactions energy: -368.360
where: short stacking energy: -173.402
Base-Backbone interact. energy: -1.148
local terms energy: -206.517550
where:
bonds (distance) C4'-P energy: -44.713
bonds (distance) P-C4' energy: -47.439
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -36.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -424.367451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.367451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.367451 (E_RNA)
where:
Base-Base interactions energy: -234.623
where: short stacking energy: -120.847
Base-Backbone interact. energy: -1.011
local terms energy: -188.733609
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -29.722
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1141.422448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.422448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.422448 (E_RNA)
where:
Base-Base interactions energy: -792.045
where: short stacking energy: -341.269
Base-Backbone interact. energy: -0.416
local terms energy: -348.961910
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -65.426
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -100.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1132.576305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.576305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.576305 (E_RNA)
where:
Base-Base interactions energy: -801.429
where: short stacking energy: -332.227
Base-Backbone interact. energy: -0.251
local terms energy: -330.896718
where:
bonds (distance) C4'-P energy: -60.295
bonds (distance) P-C4' energy: -63.173
flat angles C4'-P-C4' energy: -61.186
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -100.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1090.513540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.513540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.513540 (E_RNA)
where:
Base-Base interactions energy: -778.119
where: short stacking energy: -323.075
Base-Backbone interact. energy: -0.004
local terms energy: -312.390937
where:
bonds (distance) C4'-P energy: -49.900
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -76.562
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -90.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1084.080699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.080699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.080699 (E_RNA)
where:
Base-Base interactions energy: -785.251
where: short stacking energy: -337.193
Base-Backbone interact. energy: 0.901
local terms energy: -299.730074
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -53.378
flat angles C4'-P-C4' energy: -62.176
flat angles P-C4'-P energy: -38.320
tors. eta vs tors. theta energy: -95.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -945.496747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.496747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.496747 (E_RNA)
where:
Base-Base interactions energy: -660.040
where: short stacking energy: -293.090
Base-Backbone interact. energy: 0.901
local terms energy: -286.358405
where:
bonds (distance) C4'-P energy: -48.238
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -56.243
flat angles P-C4'-P energy: -45.331
tors. eta vs tors. theta energy: -77.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -940.521349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.521349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.521349 (E_RNA)
where:
Base-Base interactions energy: -642.581
where: short stacking energy: -277.861
Base-Backbone interact. energy: -0.683
local terms energy: -297.257755
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -61.435
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -78.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -711.753549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.753549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.753549 (E_RNA)
where:
Base-Base interactions energy: -465.424
where: short stacking energy: -214.639
Base-Backbone interact. energy: 0.467
local terms energy: -246.796789
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -38.328
tors. eta vs tors. theta energy: -51.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -803.123896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.123896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.123896 (E_RNA)
where:
Base-Base interactions energy: -554.158
where: short stacking energy: -220.984
Base-Backbone interact. energy: -1.359
local terms energy: -247.607037
where:
bonds (distance) C4'-P energy: -49.821
bonds (distance) P-C4' energy: -56.233
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -51.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -596.513220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.513220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.513220 (E_RNA)
where:
Base-Base interactions energy: -387.183
where: short stacking energy: -191.927
Base-Backbone interact. energy: 1.258
local terms energy: -210.588196
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -41.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -419.396316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.396316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.396316 (E_RNA)
where:
Base-Base interactions energy: -226.623
where: short stacking energy: -121.646
Base-Backbone interact. energy: -0.907
local terms energy: -191.865959
where:
bonds (distance) C4'-P energy: -49.382
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1141.894197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.894197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.894197 (E_RNA)
where:
Base-Base interactions energy: -809.009
where: short stacking energy: -349.941
Base-Backbone interact. energy: -0.232
local terms energy: -332.653106
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -102.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1113.403899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.403899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.403899 (E_RNA)
where:
Base-Base interactions energy: -794.000
where: short stacking energy: -328.041
Base-Backbone interact. energy: -0.246
local terms energy: -319.157847
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -60.661
flat angles C4'-P-C4' energy: -70.128
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -89.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1099.436704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.436704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.436704 (E_RNA)
where:
Base-Base interactions energy: -774.824
where: short stacking energy: -333.386
Base-Backbone interact. energy: -2.893
local terms energy: -321.720163
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -58.007
flat angles C4'-P-C4' energy: -70.248
flat angles P-C4'-P energy: -52.125
tors. eta vs tors. theta energy: -95.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1056.746705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.746705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.746705 (E_RNA)
where:
Base-Base interactions energy: -736.156
where: short stacking energy: -309.026
Base-Backbone interact. energy: -1.439
local terms energy: -319.151682
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -96.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -971.749390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.749390 (E_RNA)
where:
Base-Base interactions energy: -664.593
where: short stacking energy: -295.953
Base-Backbone interact. energy: 0.034
local terms energy: -307.189991
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -68.058
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -87.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -929.459504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.459504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.459504 (E_RNA)
where:
Base-Base interactions energy: -630.563
where: short stacking energy: -269.255
Base-Backbone interact. energy: -2.424
local terms energy: -296.472922
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -62.357
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -86.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -698.349567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.349567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.349567 (E_RNA)
where:
Base-Base interactions energy: -455.873
where: short stacking energy: -205.523
Base-Backbone interact. energy: -1.392
local terms energy: -241.084451
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -38.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -788.137009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.137009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.137009 (E_RNA)
where:
Base-Base interactions energy: -560.665
where: short stacking energy: -229.978
Base-Backbone interact. energy: -2.527
local terms energy: -224.944327
where:
bonds (distance) C4'-P energy: -44.824
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -51.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -624.774109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.774109 (E_RNA)
where:
Base-Base interactions energy: -407.275
where: short stacking energy: -169.784
Base-Backbone interact. energy: 2.723
local terms energy: -220.222396
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -30.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -457.110245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.110245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.110245 (E_RNA)
where:
Base-Base interactions energy: -270.580
where: short stacking energy: -135.866
Base-Backbone interact. energy: -0.278
local terms energy: -186.251740
where:
bonds (distance) C4'-P energy: -52.941
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1149.565100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.565100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.565100 (E_RNA)
where:
Base-Base interactions energy: -802.717
where: short stacking energy: -341.113
Base-Backbone interact. energy: -1.987
local terms energy: -344.861103
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -64.476
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -47.511
tors. eta vs tors. theta energy: -100.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1114.502585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.502585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.502585 (E_RNA)
where:
Base-Base interactions energy: -779.431
where: short stacking energy: -310.541
Base-Backbone interact. energy: -1.512
local terms energy: -333.559344
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -68.715
flat angles P-C4'-P energy: -48.151
tors. eta vs tors. theta energy: -91.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1104.024812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.024812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.024812 (E_RNA)
where:
Base-Base interactions energy: -784.176
where: short stacking energy: -334.535
Base-Backbone interact. energy: -1.063
local terms energy: -318.786038
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -67.432
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -96.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1062.585942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.585942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.585942 (E_RNA)
where:
Base-Base interactions energy: -734.628
where: short stacking energy: -326.472
Base-Backbone interact. energy: -0.014
local terms energy: -327.943929
where:
bonds (distance) C4'-P energy: -58.823
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -67.683
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -92.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -972.536741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.536741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.536741 (E_RNA)
where:
Base-Base interactions energy: -678.005
where: short stacking energy: -293.582
Base-Backbone interact. energy: -1.440
local terms energy: -293.092180
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -56.002
flat angles P-C4'-P energy: -49.003
tors. eta vs tors. theta energy: -81.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -932.428036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.428036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.428036 (E_RNA)
where:
Base-Base interactions energy: -649.956
where: short stacking energy: -288.291
Base-Backbone interact. energy: -0.003
local terms energy: -282.468701
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -58.847
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -826.243552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.243552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.243552 (E_RNA)
where:
Base-Base interactions energy: -567.743
where: short stacking energy: -253.087
Base-Backbone interact. energy: -2.924
local terms energy: -255.576114
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -66.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -653.778719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.778719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.778719 (E_RNA)
where:
Base-Base interactions energy: -415.695
where: short stacking energy: -184.938
Base-Backbone interact. energy: -2.874
local terms energy: -235.209708
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -30.608
tors. eta vs tors. theta energy: -39.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -629.359451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.359451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.359451 (E_RNA)
where:
Base-Base interactions energy: -406.100
where: short stacking energy: -186.421
Base-Backbone interact. energy: -1.162
local terms energy: -222.097581
where:
bonds (distance) C4'-P energy: -46.359
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -583.095010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.095010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.095010 (E_RNA)
where:
Base-Base interactions energy: -379.216
where: short stacking energy: -158.644
Base-Backbone interact. energy: 2.514
local terms energy: -206.392203
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1142.866982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.866982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.866982 (E_RNA)
where:
Base-Base interactions energy: -808.988
where: short stacking energy: -340.086
Base-Backbone interact. energy: -0.531
local terms energy: -333.347899
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -62.927
flat angles C4'-P-C4' energy: -67.303
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -98.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1116.253441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.253441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.253441 (E_RNA)
where:
Base-Base interactions energy: -780.014
where: short stacking energy: -336.387
Base-Backbone interact. energy: -1.789
local terms energy: -334.449875
where:
bonds (distance) C4'-P energy: -59.033
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -100.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1094.429148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.429148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.429148 (E_RNA)
where:
Base-Base interactions energy: -780.585
where: short stacking energy: -325.526
Base-Backbone interact. energy: -1.751
local terms energy: -312.092843
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -56.757
flat angles C4'-P-C4' energy: -65.512
flat angles P-C4'-P energy: -47.795
tors. eta vs tors. theta energy: -90.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1054.000239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.000239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.000239 (E_RNA)
where:
Base-Base interactions energy: -741.499
where: short stacking energy: -300.240
Base-Backbone interact. energy: -0.482
local terms energy: -312.019333
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -67.911
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -88.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -947.418009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.418009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.418009 (E_RNA)
where:
Base-Base interactions energy: -642.218
where: short stacking energy: -293.647
Base-Backbone interact. energy: -1.048
local terms energy: -304.151437
where:
bonds (distance) C4'-P energy: -50.090
bonds (distance) P-C4' energy: -57.499
flat angles C4'-P-C4' energy: -67.162
flat angles P-C4'-P energy: -48.501
tors. eta vs tors. theta energy: -80.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -932.908954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.908954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.908954 (E_RNA)
where:
Base-Base interactions energy: -655.633
where: short stacking energy: -292.089
Base-Backbone interact. energy: -0.629
local terms energy: -276.646423
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -64.041
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -79.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -829.063356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.063356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.063356 (E_RNA)
where:
Base-Base interactions energy: -556.901
where: short stacking energy: -233.264
Base-Backbone interact. energy: 0.086
local terms energy: -272.248992
where:
bonds (distance) C4'-P energy: -65.581
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -60.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -651.181174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.181174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.181174 (E_RNA)
where:
Base-Base interactions energy: -438.514
where: short stacking energy: -193.214
Base-Backbone interact. energy: 0.713
local terms energy: -213.380255
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -28.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -661.782780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.782780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.782780 (E_RNA)
where:
Base-Base interactions energy: -459.877
where: short stacking energy: -214.566
Base-Backbone interact. energy: -1.611
local terms energy: -200.295141
where:
bonds (distance) C4'-P energy: -46.094
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -40.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -540.787366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.787366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.787366 (E_RNA)
where:
Base-Base interactions energy: -349.797
where: short stacking energy: -154.820
Base-Backbone interact. energy: -0.370
local terms energy: -190.620688
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -47.067
flat angles C4'-P-C4' energy: -51.248
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1163.255310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.255310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.255310 (E_RNA)
where:
Base-Base interactions energy: -816.587
where: short stacking energy: -349.456
Base-Backbone interact. energy: -1.175
local terms energy: -345.493878
where:
bonds (distance) C4'-P energy: -67.943
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -69.888
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -103.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1110.864310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.864310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.864310 (E_RNA)
where:
Base-Base interactions energy: -791.708
where: short stacking energy: -335.238
Base-Backbone interact. energy: 2.196
local terms energy: -321.352999
where:
bonds (distance) C4'-P energy: -58.813
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -66.137
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -93.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1081.303859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.303859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.303859 (E_RNA)
where:
Base-Base interactions energy: -776.820
where: short stacking energy: -325.940
Base-Backbone interact. energy: -0.844
local terms energy: -303.639634
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -60.844
flat angles C4'-P-C4' energy: -60.625
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -85.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1037.822034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.822034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.822034 (E_RNA)
where:
Base-Base interactions energy: -745.962
where: short stacking energy: -308.888
Base-Backbone interact. energy: -1.139
local terms energy: -290.720711
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -60.169
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -965.056210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.056210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.056210 (E_RNA)
where:
Base-Base interactions energy: -660.789
where: short stacking energy: -287.883
Base-Backbone interact. energy: -0.934
local terms energy: -303.332687
where:
bonds (distance) C4'-P energy: -62.330
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -65.502
flat angles P-C4'-P energy: -46.006
tors. eta vs tors. theta energy: -72.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -915.951102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.951102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.951102 (E_RNA)
where:
Base-Base interactions energy: -636.899
where: short stacking energy: -291.596
Base-Backbone interact. energy: -0.986
local terms energy: -278.065890
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -54.664
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -46.279
tors. eta vs tors. theta energy: -75.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -816.721509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.721509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.721509 (E_RNA)
where:
Base-Base interactions energy: -577.160
where: short stacking energy: -228.271
Base-Backbone interact. energy: -1.410
local terms energy: -238.151845
where:
bonds (distance) C4'-P energy: -52.122
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -29.284
tors. eta vs tors. theta energy: -56.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -660.039085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.039085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.039085 (E_RNA)
where:
Base-Base interactions energy: -431.261
where: short stacking energy: -202.458
Base-Backbone interact. energy: -0.702
local terms energy: -228.075898
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -44.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -670.408410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.408410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.408410 (E_RNA)
where:
Base-Base interactions energy: -456.275
where: short stacking energy: -182.746
Base-Backbone interact. energy: 0.515
local terms energy: -214.648694
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -54.299
flat angles C4'-P-C4' energy: -49.516
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -41.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -510.275773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.275773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.275773 (E_RNA)
where:
Base-Base interactions energy: -317.976
where: short stacking energy: -142.078
Base-Backbone interact. energy: -2.584
local terms energy: -189.716536
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -44.158
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1141.540717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.540717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.540717 (E_RNA)
where:
Base-Base interactions energy: -806.050
where: short stacking energy: -346.200
Base-Backbone interact. energy: 1.398
local terms energy: -336.888727
where:
bonds (distance) C4'-P energy: -60.636
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -70.763
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -107.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1117.524192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.524192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.524192 (E_RNA)
where:
Base-Base interactions energy: -787.079
where: short stacking energy: -324.827
Base-Backbone interact. energy: -2.233
local terms energy: -328.212297
where:
bonds (distance) C4'-P energy: -66.517
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -91.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1067.251488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.251488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.251488 (E_RNA)
where:
Base-Base interactions energy: -760.110
where: short stacking energy: -310.262
Base-Backbone interact. energy: 2.807
local terms energy: -309.948166
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -44.984
tors. eta vs tors. theta energy: -84.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1011.422475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.422475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.422475 (E_RNA)
where:
Base-Base interactions energy: -714.853
where: short stacking energy: -310.262
Base-Backbone interact. energy: -0.771
local terms energy: -295.798429
where:
bonds (distance) C4'-P energy: -49.096
bonds (distance) P-C4' energy: -52.201
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -41.763
tors. eta vs tors. theta energy: -85.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -966.654733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.654733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.654733 (E_RNA)
where:
Base-Base interactions energy: -674.642
where: short stacking energy: -295.489
Base-Backbone interact. energy: -0.437
local terms energy: -291.576361
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -52.485
flat angles C4'-P-C4' energy: -62.659
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -79.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -936.008743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.008743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.008743 (E_RNA)
where:
Base-Base interactions energy: -651.873
where: short stacking energy: -295.219
Base-Backbone interact. energy: -0.628
local terms energy: -283.507784
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -42.955
flat angles C4'-P-C4' energy: -65.135
flat angles P-C4'-P energy: -31.610
tors. eta vs tors. theta energy: -89.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -811.745659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.745659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.745659 (E_RNA)
where:
Base-Base interactions energy: -545.517
where: short stacking energy: -219.034
Base-Backbone interact. energy: -1.488
local terms energy: -264.741071
where:
bonds (distance) C4'-P energy: -46.801
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -57.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -702.118846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.118846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.118846 (E_RNA)
where:
Base-Base interactions energy: -470.483
where: short stacking energy: -212.346
Base-Backbone interact. energy: 0.579
local terms energy: -232.214895
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -49.059
flat angles C4'-P-C4' energy: -61.990
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -59.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -621.402994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.402994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.402994 (E_RNA)
where:
Base-Base interactions energy: -393.070
where: short stacking energy: -178.107
Base-Backbone interact. energy: -1.942
local terms energy: -226.391453
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -49.030
flat angles P-C4'-P energy: -34.139
tors. eta vs tors. theta energy: -40.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -559.514146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.514146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.514146 (E_RNA)
where:
Base-Base interactions energy: -353.812
where: short stacking energy: -160.167
Base-Backbone interact. energy: 0.209
local terms energy: -205.910872
where:
bonds (distance) C4'-P energy: -52.444
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -45.090
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1149.265036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.265036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.265036 (E_RNA)
where:
Base-Base interactions energy: -805.094
where: short stacking energy: -346.921
Base-Backbone interact. energy: -1.586
local terms energy: -342.584883
where:
bonds (distance) C4'-P energy: -62.976
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -68.810
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -97.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1145.299998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.299998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.299998 (E_RNA)
where:
Base-Base interactions energy: -792.499
where: short stacking energy: -343.155
Base-Backbone interact. energy: -0.465
local terms energy: -352.335958
where:
bonds (distance) C4'-P energy: -69.839
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -68.435
flat angles P-C4'-P energy: -47.064
tors. eta vs tors. theta energy: -100.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1088.564486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.564486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.564486 (E_RNA)
where:
Base-Base interactions energy: -758.466
where: short stacking energy: -313.177
Base-Backbone interact. energy: -0.780
local terms energy: -329.318935
where:
bonds (distance) C4'-P energy: -54.377
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -69.206
flat angles P-C4'-P energy: -45.465
tors. eta vs tors. theta energy: -96.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1015.221564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.221564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.221564 (E_RNA)
where:
Base-Base interactions energy: -711.005
where: short stacking energy: -309.453
Base-Backbone interact. energy: -2.098
local terms energy: -302.118454
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -66.022
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -41.206
tors. eta vs tors. theta energy: -87.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -954.248543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.248543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.248543 (E_RNA)
where:
Base-Base interactions energy: -668.058
where: short stacking energy: -269.264
Base-Backbone interact. energy: -1.862
local terms energy: -284.328955
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -75.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -961.332885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.332885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.332885 (E_RNA)
where:
Base-Base interactions energy: -663.527
where: short stacking energy: -281.364
Base-Backbone interact. energy: 0.703
local terms energy: -298.508770
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -61.797
flat angles C4'-P-C4' energy: -61.678
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -82.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -863.529061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.529061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.529061 (E_RNA)
where:
Base-Base interactions energy: -589.800
where: short stacking energy: -245.314
Base-Backbone interact. energy: -0.941
local terms energy: -272.787731
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -65.518
flat angles C4'-P-C4' energy: -59.417
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -64.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -733.939172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.939172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.939172 (E_RNA)
where:
Base-Base interactions energy: -499.164
where: short stacking energy: -210.202
Base-Backbone interact. energy: -2.034
local terms energy: -232.741010
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -55.062
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -39.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -613.343244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.343244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.343244 (E_RNA)
where:
Base-Base interactions energy: -382.735
where: short stacking energy: -171.240
Base-Backbone interact. energy: 2.034
local terms energy: -232.641603
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -56.502
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -516.024077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.024077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.024077 (E_RNA)
where:
Base-Base interactions energy: -302.533
where: short stacking energy: -158.589
Base-Backbone interact. energy: 1.337
local terms energy: -214.828509
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1150.077777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.077777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.077777 (E_RNA)
where:
Base-Base interactions energy: -818.562
where: short stacking energy: -350.539
Base-Backbone interact. energy: -1.654
local terms energy: -329.861227
where:
bonds (distance) C4'-P energy: -60.165
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -68.727
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -95.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1156.561536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.561536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.561536 (E_RNA)
where:
Base-Base interactions energy: -815.835
where: short stacking energy: -354.450
Base-Backbone interact. energy: 0.072
local terms energy: -340.798204
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -57.567
flat angles C4'-P-C4' energy: -73.637
flat angles P-C4'-P energy: -49.856
tors. eta vs tors. theta energy: -98.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1085.004975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.004975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.004975 (E_RNA)
where:
Base-Base interactions energy: -766.319
where: short stacking energy: -315.361
Base-Backbone interact. energy: -0.440
local terms energy: -318.245684
where:
bonds (distance) C4'-P energy: -57.285
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -63.692
flat angles P-C4'-P energy: -48.875
tors. eta vs tors. theta energy: -86.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1021.554913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.554913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.554913 (E_RNA)
where:
Base-Base interactions energy: -701.563
where: short stacking energy: -311.064
Base-Backbone interact. energy: -0.302
local terms energy: -319.690112
where:
bonds (distance) C4'-P energy: -58.196
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -71.085
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -93.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -964.507961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.507961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.507961 (E_RNA)
where:
Base-Base interactions energy: -670.904
where: short stacking energy: -283.569
Base-Backbone interact. energy: -0.467
local terms energy: -293.136474
where:
bonds (distance) C4'-P energy: -59.022
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -62.707
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -73.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -948.260868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.260868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.260868 (E_RNA)
where:
Base-Base interactions energy: -648.859
where: short stacking energy: -284.220
Base-Backbone interact. energy: 2.162
local terms energy: -301.563246
where:
bonds (distance) C4'-P energy: -46.137
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -48.012
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -848.295893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.295893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.295893 (E_RNA)
where:
Base-Base interactions energy: -587.958
where: short stacking energy: -234.214
Base-Backbone interact. energy: 0.616
local terms energy: -260.953261
where:
bonds (distance) C4'-P energy: -47.796
bonds (distance) P-C4' energy: -52.618
flat angles C4'-P-C4' energy: -55.724
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -68.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -741.632492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.632492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.632492 (E_RNA)
where:
Base-Base interactions energy: -498.900
where: short stacking energy: -241.058
Base-Backbone interact. energy: -0.871
local terms energy: -241.862193
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -62.302
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -60.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -595.276049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.276049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.276049 (E_RNA)
where:
Base-Base interactions energy: -350.755
where: short stacking energy: -180.758
Base-Backbone interact. energy: -1.021
local terms energy: -243.499443
where:
bonds (distance) C4'-P energy: -49.259
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -53.782
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -41.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -515.392781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.392781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.392781 (E_RNA)
where:
Base-Base interactions energy: -320.175
where: short stacking energy: -145.145
Base-Backbone interact. energy: 1.753
local terms energy: -196.970208
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -27.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1144.655101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.655101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.655101 (E_RNA)
where:
Base-Base interactions energy: -802.841
where: short stacking energy: -350.619
Base-Backbone interact. energy: -1.570
local terms energy: -340.244243
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -69.277
flat angles C4'-P-C4' energy: -66.533
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -98.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1125.229277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.229277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.229277 (E_RNA)
where:
Base-Base interactions energy: -801.762
where: short stacking energy: -334.198
Base-Backbone interact. energy: -0.924
local terms energy: -322.543471
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -69.299
flat angles P-C4'-P energy: -46.080
tors. eta vs tors. theta energy: -92.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1062.930801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.930801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.930801 (E_RNA)
where:
Base-Base interactions energy: -756.542
where: short stacking energy: -312.019
Base-Backbone interact. energy: -1.337
local terms energy: -305.052659
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -86.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1020.327137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.327137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.327137 (E_RNA)
where:
Base-Base interactions energy: -710.445
where: short stacking energy: -308.053
Base-Backbone interact. energy: -0.494
local terms energy: -309.388980
where:
bonds (distance) C4'-P energy: -51.590
bonds (distance) P-C4' energy: -56.914
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -90.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -969.418287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.418287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.418287 (E_RNA)
where:
Base-Base interactions energy: -677.588
where: short stacking energy: -298.956
Base-Backbone interact. energy: 0.151
local terms energy: -291.981683
where:
bonds (distance) C4'-P energy: -48.602
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -83.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -936.280676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.280676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.280676 (E_RNA)
where:
Base-Base interactions energy: -662.644
where: short stacking energy: -280.930
Base-Backbone interact. energy: -1.800
local terms energy: -271.836674
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -79.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -839.896551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.896551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.896551 (E_RNA)
where:
Base-Base interactions energy: -581.391
where: short stacking energy: -241.016
Base-Backbone interact. energy: -1.940
local terms energy: -256.565763
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -62.772
flat angles P-C4'-P energy: -28.017
tors. eta vs tors. theta energy: -61.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -697.175484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.175484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.175484 (E_RNA)
where:
Base-Base interactions energy: -481.413
where: short stacking energy: -205.701
Base-Backbone interact. energy: -0.666
local terms energy: -215.096630
where:
bonds (distance) C4'-P energy: -44.137
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -44.289
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -44.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -560.796070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.796070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.796070 (E_RNA)
where:
Base-Base interactions energy: -349.395
where: short stacking energy: -151.155
Base-Backbone interact. energy: 1.268
local terms energy: -212.668828
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -553.538896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.538896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.538896 (E_RNA)
where:
Base-Base interactions energy: -366.695
where: short stacking energy: -159.686
Base-Backbone interact. energy: 0.326
local terms energy: -187.169953
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -38.489
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1160.372960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.372960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.372960 (E_RNA)
where:
Base-Base interactions energy: -812.800
where: short stacking energy: -348.135
Base-Backbone interact. energy: -0.258
local terms energy: -347.314472
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -57.962
flat angles C4'-P-C4' energy: -75.163
flat angles P-C4'-P energy: -49.187
tors. eta vs tors. theta energy: -99.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1114.780132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.780132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.780132 (E_RNA)
where:
Base-Base interactions energy: -802.962
where: short stacking energy: -349.659
Base-Backbone interact. energy: -1.723
local terms energy: -310.094692
where:
bonds (distance) C4'-P energy: -61.093
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -72.409
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -87.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1075.905396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.905396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.905396 (E_RNA)
where:
Base-Base interactions energy: -763.098
where: short stacking energy: -322.341
Base-Backbone interact. energy: -1.274
local terms energy: -311.533307
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -50.221
tors. eta vs tors. theta energy: -91.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1014.428255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.428255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.428255 (E_RNA)
where:
Base-Base interactions energy: -704.515
where: short stacking energy: -304.653
Base-Backbone interact. energy: -0.781
local terms energy: -309.132631
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -89.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -945.440475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.440475 (E_RNA)
where:
Base-Base interactions energy: -640.824
where: short stacking energy: -290.537
Base-Backbone interact. energy: 0.882
local terms energy: -305.498449
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -62.296
flat angles P-C4'-P energy: -42.308
tors. eta vs tors. theta energy: -91.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -960.155517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.155517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.155517 (E_RNA)
where:
Base-Base interactions energy: -678.328
where: short stacking energy: -285.668
Base-Backbone interact. energy: -2.348
local terms energy: -279.480115
where:
bonds (distance) C4'-P energy: -51.504
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -69.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -804.322315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.322315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.322315 (E_RNA)
where:
Base-Base interactions energy: -554.612
where: short stacking energy: -217.307
Base-Backbone interact. energy: -1.512
local terms energy: -248.198902
where:
bonds (distance) C4'-P energy: -53.230
bonds (distance) P-C4' energy: -44.529
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -61.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -683.719414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.719414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.719414 (E_RNA)
where:
Base-Base interactions energy: -436.507
where: short stacking energy: -200.294
Base-Backbone interact. energy: -1.501
local terms energy: -245.711504
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -63.267
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -46.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -600.242465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.242465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.242465 (E_RNA)
where:
Base-Base interactions energy: -378.851
where: short stacking energy: -177.738
Base-Backbone interact. energy: -2.373
local terms energy: -219.018020
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -500.672819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.672819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.672819 (E_RNA)
where:
Base-Base interactions energy: -302.321
where: short stacking energy: -145.903
Base-Backbone interact. energy: 0.124
local terms energy: -198.475510
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1152.505644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.505644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.505644 (E_RNA)
where:
Base-Base interactions energy: -810.814
where: short stacking energy: -345.969
Base-Backbone interact. energy: -0.722
local terms energy: -340.969107
where:
bonds (distance) C4'-P energy: -66.206
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -68.876
flat angles P-C4'-P energy: -47.909
tors. eta vs tors. theta energy: -99.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1110.414710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.414710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.414710 (E_RNA)
where:
Base-Base interactions energy: -771.740
where: short stacking energy: -312.451
Base-Backbone interact. energy: 2.235
local terms energy: -340.909704
where:
bonds (distance) C4'-P energy: -57.493
bonds (distance) P-C4' energy: -72.103
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -52.596
tors. eta vs tors. theta energy: -90.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1063.147031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.147031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.147031 (E_RNA)
where:
Base-Base interactions energy: -729.824
where: short stacking energy: -329.436
Base-Backbone interact. energy: -3.749
local terms energy: -329.573800
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -70.034
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -93.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1038.643857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.643857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.643857 (E_RNA)
where:
Base-Base interactions energy: -714.493
where: short stacking energy: -327.466
Base-Backbone interact. energy: -0.245
local terms energy: -323.906098
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -53.407
flat angles C4'-P-C4' energy: -73.094
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -99.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -960.231592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.231592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.231592 (E_RNA)
where:
Base-Base interactions energy: -657.982
where: short stacking energy: -279.877
Base-Backbone interact. energy: -0.883
local terms energy: -301.367396
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -70.449
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -910.466992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.466992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.466992 (E_RNA)
where:
Base-Base interactions energy: -620.243
where: short stacking energy: -278.349
Base-Backbone interact. energy: 1.043
local terms energy: -291.267444
where:
bonds (distance) C4'-P energy: -49.495
bonds (distance) P-C4' energy: -58.498
flat angles C4'-P-C4' energy: -67.681
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -84.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -871.994967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.994967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.994967 (E_RNA)
where:
Base-Base interactions energy: -599.064
where: short stacking energy: -263.790
Base-Backbone interact. energy: -1.585
local terms energy: -271.346373
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -69.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -611.928579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.928579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.928579 (E_RNA)
where:
Base-Base interactions energy: -402.537
where: short stacking energy: -181.065
Base-Backbone interact. energy: -0.323
local terms energy: -209.067629
where:
bonds (distance) C4'-P energy: -40.078
bonds (distance) P-C4' energy: -45.353
flat angles C4'-P-C4' energy: -56.296
flat angles P-C4'-P energy: -32.538
tors. eta vs tors. theta energy: -34.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -621.386336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.386336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.386336 (E_RNA)
where:
Base-Base interactions energy: -408.857
where: short stacking energy: -193.353
Base-Backbone interact. energy: 0.062
local terms energy: -212.590778
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -56.517
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -484.375683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.375683 (E_RNA)
where:
Base-Base interactions energy: -290.779
where: short stacking energy: -136.147
Base-Backbone interact. energy: 0.193
local terms energy: -193.789662
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1140.922332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.922332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.922332 (E_RNA)
where:
Base-Base interactions energy: -806.914
where: short stacking energy: -351.027
Base-Backbone interact. energy: -0.825
local terms energy: -333.183605
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -62.036
flat angles C4'-P-C4' energy: -69.621
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: -101.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1091.824902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.824902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.824902 (E_RNA)
where:
Base-Base interactions energy: -763.225
where: short stacking energy: -329.813
Base-Backbone interact. energy: 0.381
local terms energy: -328.980681
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -96.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1105.831331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.831331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.831331 (E_RNA)
where:
Base-Base interactions energy: -774.581
where: short stacking energy: -328.189
Base-Backbone interact. energy: -2.288
local terms energy: -328.961564
where:
bonds (distance) C4'-P energy: -57.989
bonds (distance) P-C4' energy: -63.293
flat angles C4'-P-C4' energy: -70.616
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -95.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1021.484177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.484177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.484177 (E_RNA)
where:
Base-Base interactions energy: -719.282
where: short stacking energy: -314.075
Base-Backbone interact. energy: -0.074
local terms energy: -302.127669
where:
bonds (distance) C4'-P energy: -55.688
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -84.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -976.725407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.725407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.725407 (E_RNA)
where:
Base-Base interactions energy: -679.231
where: short stacking energy: -275.755
Base-Backbone interact. energy: -0.411
local terms energy: -297.082641
where:
bonds (distance) C4'-P energy: -59.549
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -82.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -932.972702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.972702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.972702 (E_RNA)
where:
Base-Base interactions energy: -664.338
where: short stacking energy: -280.317
Base-Backbone interact. energy: -0.955
local terms energy: -267.679740
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -46.448
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -69.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -834.981351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.981351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.981351 (E_RNA)
where:
Base-Base interactions energy: -573.769
where: short stacking energy: -238.545
Base-Backbone interact. energy: -2.106
local terms energy: -259.106591
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -54.399
flat angles C4'-P-C4' energy: -60.660
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -66.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -642.765189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.765189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.765189 (E_RNA)
where:
Base-Base interactions energy: -417.865
where: short stacking energy: -196.092
Base-Backbone interact. energy: -1.062
local terms energy: -223.837810
where:
bonds (distance) C4'-P energy: -55.658
bonds (distance) P-C4' energy: -55.375
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -32.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -562.147746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.147746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.147746 (E_RNA)
where:
Base-Base interactions energy: -351.834
where: short stacking energy: -163.077
Base-Backbone interact. energy: -0.244
local terms energy: -210.069066
where:
bonds (distance) C4'-P energy: -55.360
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -514.532185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.532185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.532185 (E_RNA)
where:
Base-Base interactions energy: -292.310
where: short stacking energy: -140.264
Base-Backbone interact. energy: 2.190
local terms energy: -224.412280
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -64.763
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1154.788021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.788021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.788021 (E_RNA)
where:
Base-Base interactions energy: -818.119
where: short stacking energy: -347.201
Base-Backbone interact. energy: -0.746
local terms energy: -335.922582
where:
bonds (distance) C4'-P energy: -60.350
bonds (distance) P-C4' energy: -63.700
flat angles C4'-P-C4' energy: -64.698
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -104.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1096.353895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.353895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.353895 (E_RNA)
where:
Base-Base interactions energy: -772.905
where: short stacking energy: -329.378
Base-Backbone interact. energy: 0.256
local terms energy: -323.704604
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -56.778
flat angles C4'-P-C4' energy: -71.512
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -93.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1028.778848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.778848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.778848 (E_RNA)
where:
Base-Base interactions energy: -710.393
where: short stacking energy: -320.789
Base-Backbone interact. energy: -1.499
local terms energy: -316.886447
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -64.909
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -35.392
tors. eta vs tors. theta energy: -97.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1077.008465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.008465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.008465 (E_RNA)
where:
Base-Base interactions energy: -757.516
where: short stacking energy: -318.924
Base-Backbone interact. energy: -1.892
local terms energy: -317.600415
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -65.426
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -84.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -969.357439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.357439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.357439 (E_RNA)
where:
Base-Base interactions energy: -677.740
where: short stacking energy: -281.428
Base-Backbone interact. energy: -1.753
local terms energy: -289.864415
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -54.546
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -80.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -933.137836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.137836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.137836 (E_RNA)
where:
Base-Base interactions energy: -645.996
where: short stacking energy: -293.167
Base-Backbone interact. energy: -0.441
local terms energy: -286.701003
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -58.097
flat angles C4'-P-C4' energy: -62.864
flat angles P-C4'-P energy: -38.677
tors. eta vs tors. theta energy: -82.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -841.313394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.313394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.313394 (E_RNA)
where:
Base-Base interactions energy: -596.045
where: short stacking energy: -233.678
Base-Backbone interact. energy: -1.532
local terms energy: -243.736447
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -54.171
flat angles C4'-P-C4' energy: -54.544
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -63.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -669.713205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.713205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.713205 (E_RNA)
where:
Base-Base interactions energy: -439.256
where: short stacking energy: -204.955
Base-Backbone interact. energy: 0.509
local terms energy: -230.965936
where:
bonds (distance) C4'-P energy: -50.802
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -37.690
tors. eta vs tors. theta energy: -43.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -568.684212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.684212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.684212 (E_RNA)
where:
Base-Base interactions energy: -346.637
where: short stacking energy: -163.192
Base-Backbone interact. energy: -0.168
local terms energy: -221.879462
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -518.758213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.758213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.758213 (E_RNA)
where:
Base-Base interactions energy: -321.132
where: short stacking energy: -134.255
Base-Backbone interact. energy: -2.102
local terms energy: -195.524584
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -63.846
flat angles C4'-P-C4' energy: -38.936
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1149.392378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.392378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.392378 (E_RNA)
where:
Base-Base interactions energy: -812.560
where: short stacking energy: -346.779
Base-Backbone interact. energy: -1.832
local terms energy: -335.000349
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -61.758
flat angles C4'-P-C4' energy: -75.161
flat angles P-C4'-P energy: -43.350
tors. eta vs tors. theta energy: -100.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1088.018706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.018706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.018706 (E_RNA)
where:
Base-Base interactions energy: -760.494
where: short stacking energy: -334.010
Base-Backbone interact. energy: -0.704
local terms energy: -326.820634
where:
bonds (distance) C4'-P energy: -57.161
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -68.295
flat angles P-C4'-P energy: -38.768
tors. eta vs tors. theta energy: -98.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1053.270802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.270802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.270802 (E_RNA)
where:
Base-Base interactions energy: -755.834
where: short stacking energy: -335.795
Base-Backbone interact. energy: 2.432
local terms energy: -299.868241
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -52.184
flat angles C4'-P-C4' energy: -70.805
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -87.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1056.172591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.172591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.172591 (E_RNA)
where:
Base-Base interactions energy: -746.941
where: short stacking energy: -309.635
Base-Backbone interact. energy: -1.772
local terms energy: -307.459967
where:
bonds (distance) C4'-P energy: -56.506
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -47.370
tors. eta vs tors. theta energy: -89.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -970.534759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.534759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.534759 (E_RNA)
where:
Base-Base interactions energy: -682.201
where: short stacking energy: -298.739
Base-Backbone interact. energy: -1.819
local terms energy: -286.514443
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -69.301
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -79.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -954.494090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.494090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.494090 (E_RNA)
where:
Base-Base interactions energy: -667.373
where: short stacking energy: -309.949
Base-Backbone interact. energy: -0.603
local terms energy: -286.517307
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -63.633
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -87.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -798.347631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.347631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.347631 (E_RNA)
where:
Base-Base interactions energy: -550.301
where: short stacking energy: -210.740
Base-Backbone interact. energy: -1.216
local terms energy: -246.830780
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -59.677
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -614.735426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.735426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.735426 (E_RNA)
where:
Base-Base interactions energy: -388.600
where: short stacking energy: -178.535
Base-Backbone interact. energy: 3.423
local terms energy: -229.558631
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -658.583347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.583347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.583347 (E_RNA)
where:
Base-Base interactions energy: -430.297
where: short stacking energy: -191.067
Base-Backbone interact. energy: -1.568
local terms energy: -226.718657
where:
bonds (distance) C4'-P energy: -56.322
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -48.831
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -45.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -509.092137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.092137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.092137 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -161.455
Base-Backbone interact. energy: 1.531
local terms energy: -174.083701
where:
bonds (distance) C4'-P energy: -48.912
bonds (distance) P-C4' energy: -41.347
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1146.001216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.001216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.001216 (E_RNA)
where:
Base-Base interactions energy: -813.823
where: short stacking energy: -345.575
Base-Backbone interact. energy: -1.040
local terms energy: -331.138021
where:
bonds (distance) C4'-P energy: -66.571
bonds (distance) P-C4' energy: -61.998
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -37.144
tors. eta vs tors. theta energy: -96.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1101.150406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.150406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.150406 (E_RNA)
where:
Base-Base interactions energy: -758.989
where: short stacking energy: -329.393
Base-Backbone interact. energy: -0.491
local terms energy: -341.670876
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -67.570
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -98.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1088.914902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.914902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.914902 (E_RNA)
where:
Base-Base interactions energy: -762.244
where: short stacking energy: -323.751
Base-Backbone interact. energy: -1.791
local terms energy: -324.879205
where:
bonds (distance) C4'-P energy: -58.860
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -70.625
flat angles P-C4'-P energy: -47.409
tors. eta vs tors. theta energy: -90.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1048.884228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.884228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.884228 (E_RNA)
where:
Base-Base interactions energy: -742.959
where: short stacking energy: -318.122
Base-Backbone interact. energy: -0.306
local terms energy: -305.619658
where:
bonds (distance) C4'-P energy: -58.388
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -90.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -962.484691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.484691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.484691 (E_RNA)
where:
Base-Base interactions energy: -668.613
where: short stacking energy: -303.509
Base-Backbone interact. energy: 0.281
local terms energy: -294.152323
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -55.275
flat angles C4'-P-C4' energy: -67.822
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -82.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -939.978057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.978057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.978057 (E_RNA)
where:
Base-Base interactions energy: -653.791
where: short stacking energy: -280.674
Base-Backbone interact. energy: -0.589
local terms energy: -285.598609
where:
bonds (distance) C4'-P energy: -58.580
bonds (distance) P-C4' energy: -63.246
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -30.173
tors. eta vs tors. theta energy: -76.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -776.662827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.662827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.662827 (E_RNA)
where:
Base-Base interactions energy: -546.847
where: short stacking energy: -244.955
Base-Backbone interact. energy: -2.234
local terms energy: -227.581914
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -50.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -577.837713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.837713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.837713 (E_RNA)
where:
Base-Base interactions energy: -359.654
where: short stacking energy: -186.214
Base-Backbone interact. energy: 0.311
local terms energy: -218.494570
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -49.937
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -38.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -647.940193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.940193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.940193 (E_RNA)
where:
Base-Base interactions energy: -446.235
where: short stacking energy: -186.040
Base-Backbone interact. energy: -0.511
local terms energy: -201.194279
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -56.657
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -29.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -548.983632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.983632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.983632 (E_RNA)
where:
Base-Base interactions energy: -343.982
where: short stacking energy: -157.720
Base-Backbone interact. energy: -1.011
local terms energy: -203.991265
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -50.002
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1164.102166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.102166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.102166 (E_RNA)
where:
Base-Base interactions energy: -810.441
where: short stacking energy: -333.187
Base-Backbone interact. energy: -0.913
local terms energy: -352.748395
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -72.064
flat angles P-C4'-P energy: -44.650
tors. eta vs tors. theta energy: -102.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1085.804906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.804906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.804906 (E_RNA)
where:
Base-Base interactions energy: -757.021
where: short stacking energy: -325.650
Base-Backbone interact. energy: -0.263
local terms energy: -328.521405
where:
bonds (distance) C4'-P energy: -52.122
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -73.010
flat angles P-C4'-P energy: -44.771
tors. eta vs tors. theta energy: -96.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1066.897351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.897351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.897351 (E_RNA)
where:
Base-Base interactions energy: -752.276
where: short stacking energy: -306.994
Base-Backbone interact. energy: -0.903
local terms energy: -313.719171
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -87.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1040.124454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.124454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.124454 (E_RNA)
where:
Base-Base interactions energy: -739.593
where: short stacking energy: -301.938
Base-Backbone interact. energy: -0.857
local terms energy: -299.674438
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -66.373
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -89.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -950.173221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.173221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.173221 (E_RNA)
where:
Base-Base interactions energy: -651.638
where: short stacking energy: -278.948
Base-Backbone interact. energy: -0.445
local terms energy: -298.090122
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: -81.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -910.421125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.421125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.421125 (E_RNA)
where:
Base-Base interactions energy: -619.484
where: short stacking energy: -282.599
Base-Backbone interact. energy: -1.061
local terms energy: -289.876231
where:
bonds (distance) C4'-P energy: -50.430
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -59.753
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -79.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -753.369761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.369761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.369761 (E_RNA)
where:
Base-Base interactions energy: -497.184
where: short stacking energy: -221.345
Base-Backbone interact. energy: -1.590
local terms energy: -254.595660
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -52.760
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: -56.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -646.442906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.442906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.442906 (E_RNA)
where:
Base-Base interactions energy: -410.870
where: short stacking energy: -195.972
Base-Backbone interact. energy: -1.365
local terms energy: -234.208029
where:
bonds (distance) C4'-P energy: -47.555
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -41.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -579.787217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.787217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.787217 (E_RNA)
where:
Base-Base interactions energy: -362.992
where: short stacking energy: -165.855
Base-Backbone interact. energy: -1.032
local terms energy: -215.762620
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -552.305971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.305971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.305971 (E_RNA)
where:
Base-Base interactions energy: -348.590
where: short stacking energy: -148.124
Base-Backbone interact. energy: 1.958
local terms energy: -205.673510
where:
bonds (distance) C4'-P energy: -49.121
bonds (distance) P-C4' energy: -39.093
flat angles C4'-P-C4' energy: -50.307
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1137.928479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.928479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.928479 (E_RNA)
where:
Base-Base interactions energy: -810.594
where: short stacking energy: -335.016
Base-Backbone interact. energy: 0.314
local terms energy: -327.648063
where:
bonds (distance) C4'-P energy: -57.894
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -74.564
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -100.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1065.758488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.758488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.758488 (E_RNA)
where:
Base-Base interactions energy: -735.085
where: short stacking energy: -308.334
Base-Backbone interact. energy: -0.336
local terms energy: -330.337465
where:
bonds (distance) C4'-P energy: -62.417
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -70.593
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -85.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1036.031207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.031207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.031207 (E_RNA)
where:
Base-Base interactions energy: -731.875
where: short stacking energy: -317.062
Base-Backbone interact. energy: -1.689
local terms energy: -302.466935
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -68.613
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -85.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1047.057109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.057109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.057109 (E_RNA)
where:
Base-Base interactions energy: -723.672
where: short stacking energy: -300.620
Base-Backbone interact. energy: -0.304
local terms energy: -323.080381
where:
bonds (distance) C4'-P energy: -62.783
bonds (distance) P-C4' energy: -61.184
flat angles C4'-P-C4' energy: -72.660
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -82.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -968.783238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.783238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.783238 (E_RNA)
where:
Base-Base interactions energy: -671.649
where: short stacking energy: -298.740
Base-Backbone interact. energy: 0.810
local terms energy: -297.943709
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -90.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -943.635748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.635748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.635748 (E_RNA)
where:
Base-Base interactions energy: -658.752
where: short stacking energy: -263.375
Base-Backbone interact. energy: -1.727
local terms energy: -283.156450
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -64.767
flat angles P-C4'-P energy: -41.234
tors. eta vs tors. theta energy: -74.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -696.442988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.442988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.442988 (E_RNA)
where:
Base-Base interactions energy: -457.318
where: short stacking energy: -199.649
Base-Backbone interact. energy: -1.295
local terms energy: -237.830144
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -53.887
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -43.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -748.374274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.374274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.374274 (E_RNA)
where:
Base-Base interactions energy: -507.430
where: short stacking energy: -202.519
Base-Backbone interact. energy: -0.208
local terms energy: -240.736004
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -52.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -606.752981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.752981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.752981 (E_RNA)
where:
Base-Base interactions energy: -384.889
where: short stacking energy: -181.450
Base-Backbone interact. energy: -1.151
local terms energy: -220.712540
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -58.803
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -43.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -565.241594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.241594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.241594 (E_RNA)
where:
Base-Base interactions energy: -372.681
where: short stacking energy: -155.730
Base-Backbone interact. energy: -1.512
local terms energy: -191.048116
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -46.308
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1137.333801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.333801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.333801 (E_RNA)
where:
Base-Base interactions energy: -808.261
where: short stacking energy: -347.251
Base-Backbone interact. energy: -1.275
local terms energy: -327.797834
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -59.328
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -100.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1080.432557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.432557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.432557 (E_RNA)
where:
Base-Base interactions energy: -754.958
where: short stacking energy: -340.003
Base-Backbone interact. energy: -0.250
local terms energy: -325.225095
where:
bonds (distance) C4'-P energy: -62.516
bonds (distance) P-C4' energy: -63.793
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -94.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1052.327889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.327889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.327889 (E_RNA)
where:
Base-Base interactions energy: -746.685
where: short stacking energy: -300.216
Base-Backbone interact. energy: 1.094
local terms energy: -306.737142
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -51.499
flat angles C4'-P-C4' energy: -64.818
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -79.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1039.518592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.518592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.518592 (E_RNA)
where:
Base-Base interactions energy: -726.865
where: short stacking energy: -321.320
Base-Backbone interact. energy: -1.232
local terms energy: -311.421386
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -60.022
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -88.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -954.741225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.741225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.741225 (E_RNA)
where:
Base-Base interactions energy: -665.052
where: short stacking energy: -296.680
Base-Backbone interact. energy: -1.081
local terms energy: -288.608207
where:
bonds (distance) C4'-P energy: -57.635
bonds (distance) P-C4' energy: -42.422
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -40.510
tors. eta vs tors. theta energy: -87.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -947.180265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.180265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.180265 (E_RNA)
where:
Base-Base interactions energy: -661.026
where: short stacking energy: -290.111
Base-Backbone interact. energy: -0.401
local terms energy: -285.753084
where:
bonds (distance) C4'-P energy: -56.166
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -76.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -707.298672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.298672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.298672 (E_RNA)
where:
Base-Base interactions energy: -472.494
where: short stacking energy: -221.530
Base-Backbone interact. energy: -1.143
local terms energy: -233.661898
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -59.605
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -40.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -747.987179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.987179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.987179 (E_RNA)
where:
Base-Base interactions energy: -515.845
where: short stacking energy: -222.973
Base-Backbone interact. energy: -1.065
local terms energy: -231.076923
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -41.604
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -51.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -586.285800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.285800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.285800 (E_RNA)
where:
Base-Base interactions energy: -371.077
where: short stacking energy: -167.245
Base-Backbone interact. energy: -0.631
local terms energy: -214.578567
where:
bonds (distance) C4'-P energy: -52.846
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -57.919
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -521.939877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.939877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.939877 (E_RNA)
where:
Base-Base interactions energy: -362.681
where: short stacking energy: -157.544
Base-Backbone interact. energy: 1.190
local terms energy: -160.448950
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -48.669
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -29.926
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1135.145979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.145979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.145979 (E_RNA)
where:
Base-Base interactions energy: -797.696
where: short stacking energy: -338.204
Base-Backbone interact. energy: -2.553
local terms energy: -334.897282
where:
bonds (distance) C4'-P energy: -59.326
bonds (distance) P-C4' energy: -57.943
flat angles C4'-P-C4' energy: -73.446
flat angles P-C4'-P energy: -47.313
tors. eta vs tors. theta energy: -96.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1061.734488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.734488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.734488 (E_RNA)
where:
Base-Base interactions energy: -728.743
where: short stacking energy: -325.361
Base-Backbone interact. energy: -1.411
local terms energy: -331.580611
where:
bonds (distance) C4'-P energy: -64.865
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -75.229
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -91.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1052.229158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.229158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.229158 (E_RNA)
where:
Base-Base interactions energy: -739.992
where: short stacking energy: -317.853
Base-Backbone interact. energy: -0.674
local terms energy: -311.563170
where:
bonds (distance) C4'-P energy: -59.854
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -90.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1044.406043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.406043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.406043 (E_RNA)
where:
Base-Base interactions energy: -735.310
where: short stacking energy: -289.812
Base-Backbone interact. energy: -0.962
local terms energy: -308.133382
where:
bonds (distance) C4'-P energy: -52.204
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -65.566
flat angles P-C4'-P energy: -49.103
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -953.311597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.311597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.311597 (E_RNA)
where:
Base-Base interactions energy: -657.635
where: short stacking energy: -277.878
Base-Backbone interact. energy: -0.862
local terms energy: -294.814570
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -68.266
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -70.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -942.793567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.793567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.793567 (E_RNA)
where:
Base-Base interactions energy: -640.280
where: short stacking energy: -294.655
Base-Backbone interact. energy: -0.347
local terms energy: -302.166303
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -52.666
flat angles C4'-P-C4' energy: -69.760
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -87.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -792.800028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.800028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.800028 (E_RNA)
where:
Base-Base interactions energy: -538.797
where: short stacking energy: -239.491
Base-Backbone interact. energy: 0.306
local terms energy: -254.309256
where:
bonds (distance) C4'-P energy: -56.192
bonds (distance) P-C4' energy: -58.823
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -60.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -671.457337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.457337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.457337 (E_RNA)
where:
Base-Base interactions energy: -450.699
where: short stacking energy: -198.289
Base-Backbone interact. energy: 2.177
local terms energy: -222.935960
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -52.497
flat angles C4'-P-C4' energy: -51.626
flat angles P-C4'-P energy: -33.275
tors. eta vs tors. theta energy: -39.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -639.724368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.724368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.724368 (E_RNA)
where:
Base-Base interactions energy: -408.738
where: short stacking energy: -188.379
Base-Backbone interact. energy: -1.052
local terms energy: -229.933750
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -53.229
flat angles C4'-P-C4' energy: -54.071
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -522.984870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.984870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.984870 (E_RNA)
where:
Base-Base interactions energy: -334.580
where: short stacking energy: -148.148
Base-Backbone interact. energy: 7.754
local terms energy: -196.159120
where:
bonds (distance) C4'-P energy: -60.631
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -50.065
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1132.322986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.322986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.322986 (E_RNA)
where:
Base-Base interactions energy: -809.065
where: short stacking energy: -335.399
Base-Backbone interact. energy: -0.510
local terms energy: -322.748326
where:
bonds (distance) C4'-P energy: -60.275
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -67.574
flat angles P-C4'-P energy: -38.567
tors. eta vs tors. theta energy: -95.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1083.295551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.295551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.295551 (E_RNA)
where:
Base-Base interactions energy: -756.050
where: short stacking energy: -317.640
Base-Backbone interact. energy: -0.605
local terms energy: -326.641103
where:
bonds (distance) C4'-P energy: -62.376
bonds (distance) P-C4' energy: -64.230
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -85.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1055.638726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.638726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.638726 (E_RNA)
where:
Base-Base interactions energy: -746.238
where: short stacking energy: -327.169
Base-Backbone interact. energy: -1.164
local terms energy: -308.236964
where:
bonds (distance) C4'-P energy: -56.252
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -63.722
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: -101.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1051.818071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.818071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.818071 (E_RNA)
where:
Base-Base interactions energy: -729.073
where: short stacking energy: -310.085
Base-Backbone interact. energy: -0.278
local terms energy: -322.467214
where:
bonds (distance) C4'-P energy: -61.088
bonds (distance) P-C4' energy: -56.941
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -91.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -975.055632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.055632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.055632 (E_RNA)
where:
Base-Base interactions energy: -676.400
where: short stacking energy: -286.778
Base-Backbone interact. energy: -1.805
local terms energy: -296.850638
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -61.511
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -76.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -967.541843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.541843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.541843 (E_RNA)
where:
Base-Base interactions energy: -672.674
where: short stacking energy: -293.081
Base-Backbone interact. energy: 1.019
local terms energy: -295.886625
where:
bonds (distance) C4'-P energy: -60.991
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -67.811
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -84.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -802.468702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.468702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.468702 (E_RNA)
where:
Base-Base interactions energy: -535.390
where: short stacking energy: -229.714
Base-Backbone interact. energy: 3.972
local terms energy: -271.050665
where:
bonds (distance) C4'-P energy: -56.725
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -63.949
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -52.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -684.647391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.647391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.647391 (E_RNA)
where:
Base-Base interactions energy: -457.140
where: short stacking energy: -210.812
Base-Backbone interact. energy: 0.248
local terms energy: -227.755885
where:
bonds (distance) C4'-P energy: -47.758
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -52.573
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -36.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -600.862563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.862563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.862563 (E_RNA)
where:
Base-Base interactions energy: -369.997
where: short stacking energy: -170.572
Base-Backbone interact. energy: -1.409
local terms energy: -229.456563
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -47.392
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -39.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -529.194896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.194896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.194896 (E_RNA)
where:
Base-Base interactions energy: -305.766
where: short stacking energy: -147.070
Base-Backbone interact. energy: -0.891
local terms energy: -222.537499
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -57.779
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -32.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1139.780689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.780689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.780689 (E_RNA)
where:
Base-Base interactions energy: -817.471
where: short stacking energy: -337.619
Base-Backbone interact. energy: -1.739
local terms energy: -320.570388
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -55.710
flat angles C4'-P-C4' energy: -65.266
flat angles P-C4'-P energy: -47.655
tors. eta vs tors. theta energy: -97.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1074.309526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.309526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.309526 (E_RNA)
where:
Base-Base interactions energy: -750.379
where: short stacking energy: -315.880
Base-Backbone interact. energy: 0.541
local terms energy: -324.471529
where:
bonds (distance) C4'-P energy: -54.298
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -64.864
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -95.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1082.061289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.061289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.061289 (E_RNA)
where:
Base-Base interactions energy: -770.204
where: short stacking energy: -320.170
Base-Backbone interact. energy: -0.957
local terms energy: -310.900228
where:
bonds (distance) C4'-P energy: -60.712
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: -91.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1019.095734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.095734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.095734 (E_RNA)
where:
Base-Base interactions energy: -714.005
where: short stacking energy: -316.101
Base-Backbone interact. energy: -0.174
local terms energy: -304.917147
where:
bonds (distance) C4'-P energy: -55.192
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -67.726
flat angles P-C4'-P energy: -42.968
tors. eta vs tors. theta energy: -88.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -987.766292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.766292 (E_RNA)
where:
Base-Base interactions energy: -690.189
where: short stacking energy: -283.305
Base-Backbone interact. energy: -1.086
local terms energy: -296.491744
where:
bonds (distance) C4'-P energy: -61.863
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -81.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -967.439045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.439045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.439045 (E_RNA)
where:
Base-Base interactions energy: -672.788
where: short stacking energy: -293.241
Base-Backbone interact. energy: -0.025
local terms energy: -294.626325
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -839.852767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.852767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.852767 (E_RNA)
where:
Base-Base interactions energy: -572.443
where: short stacking energy: -254.723
Base-Backbone interact. energy: -2.075
local terms energy: -265.334860
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -63.042
flat angles P-C4'-P energy: -39.397
tors. eta vs tors. theta energy: -58.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -671.539215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.539215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.539215 (E_RNA)
where:
Base-Base interactions energy: -433.683
where: short stacking energy: -205.731
Base-Backbone interact. energy: -1.958
local terms energy: -235.898424
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -54.177
flat angles P-C4'-P energy: -31.689
tors. eta vs tors. theta energy: -55.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -512.908160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.908160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.908160 (E_RNA)
where:
Base-Base interactions energy: -318.343
where: short stacking energy: -157.413
Base-Backbone interact. energy: 1.991
local terms energy: -196.555724
where:
bonds (distance) C4'-P energy: -48.010
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -520.603322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.603322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.603322 (E_RNA)
where:
Base-Base interactions energy: -317.766
where: short stacking energy: -143.593
Base-Backbone interact. energy: 3.775
local terms energy: -206.612837
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -49.878
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1153.088747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.088747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.088747 (E_RNA)
where:
Base-Base interactions energy: -802.441
where: short stacking energy: -350.506
Base-Backbone interact. energy: -1.337
local terms energy: -349.310911
where:
bonds (distance) C4'-P energy: -67.571
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -67.347
flat angles P-C4'-P energy: -41.075
tors. eta vs tors. theta energy: -107.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1076.977435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.977435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.977435 (E_RNA)
where:
Base-Base interactions energy: -772.916
where: short stacking energy: -321.148
Base-Backbone interact. energy: -0.346
local terms energy: -303.716125
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -57.644
flat angles C4'-P-C4' energy: -66.541
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -92.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1076.458278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.458278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.458278 (E_RNA)
where:
Base-Base interactions energy: -757.113
where: short stacking energy: -320.333
Base-Backbone interact. energy: -2.266
local terms energy: -317.078634
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -61.261
flat angles C4'-P-C4' energy: -70.420
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -86.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1010.867693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.867693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.867693 (E_RNA)
where:
Base-Base interactions energy: -705.837
where: short stacking energy: -303.396
Base-Backbone interact. energy: -1.222
local terms energy: -303.809061
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -68.671
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -83.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -990.982616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.982616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.982616 (E_RNA)
where:
Base-Base interactions energy: -671.799
where: short stacking energy: -283.853
Base-Backbone interact. energy: -0.763
local terms energy: -318.420123
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -64.462
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -48.323
tors. eta vs tors. theta energy: -85.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -947.677773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.677773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.677773 (E_RNA)
where:
Base-Base interactions energy: -654.459
where: short stacking energy: -286.142
Base-Backbone interact. energy: -1.094
local terms energy: -292.124608
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -59.711
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -82.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -826.472303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.472303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.472303 (E_RNA)
where:
Base-Base interactions energy: -548.664
where: short stacking energy: -215.501
Base-Backbone interact. energy: -0.107
local terms energy: -277.701322
where:
bonds (distance) C4'-P energy: -60.246
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -65.469
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: -60.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -672.427410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.427410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.427410 (E_RNA)
where:
Base-Base interactions energy: -452.022
where: short stacking energy: -199.267
Base-Backbone interact. energy: -0.005
local terms energy: -220.400448
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -567.304377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.304377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.304377 (E_RNA)
where:
Base-Base interactions energy: -364.833
where: short stacking energy: -176.076
Base-Backbone interact. energy: -0.473
local terms energy: -201.998757
where:
bonds (distance) C4'-P energy: -46.921
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -533.133550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.133550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.133550 (E_RNA)
where:
Base-Base interactions energy: -327.761
where: short stacking energy: -154.478
Base-Backbone interact. energy: 0.051
local terms energy: -205.423989
where:
bonds (distance) C4'-P energy: -51.201
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -50.518
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1145.157538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.157538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.157538 (E_RNA)
where:
Base-Base interactions energy: -806.731
where: short stacking energy: -343.635
Base-Backbone interact. energy: -2.248
local terms energy: -336.177907
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -59.431
flat angles C4'-P-C4' energy: -71.773
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -100.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1084.848478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.848478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.848478 (E_RNA)
where:
Base-Base interactions energy: -769.428
where: short stacking energy: -326.859
Base-Backbone interact. energy: -2.029
local terms energy: -313.391084
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -65.075
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -95.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1047.784370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.784370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.784370 (E_RNA)
where:
Base-Base interactions energy: -742.426
where: short stacking energy: -306.637
Base-Backbone interact. energy: 3.019
local terms energy: -308.377188
where:
bonds (distance) C4'-P energy: -56.451
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -50.630
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1006.211348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.211348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.211348 (E_RNA)
where:
Base-Base interactions energy: -703.509
where: short stacking energy: -306.417
Base-Backbone interact. energy: 1.089
local terms energy: -303.791137
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -66.732
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -79.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -998.377473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.377473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.377473 (E_RNA)
where:
Base-Base interactions energy: -685.689
where: short stacking energy: -287.908
Base-Backbone interact. energy: -0.805
local terms energy: -311.882726
where:
bonds (distance) C4'-P energy: -56.892
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -90.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -941.128853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.128853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.128853 (E_RNA)
where:
Base-Base interactions energy: -667.578
where: short stacking energy: -282.757
Base-Backbone interact. energy: -1.245
local terms energy: -272.306648
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -55.824
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -38.440
tors. eta vs tors. theta energy: -81.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -840.320158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.320158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.320158 (E_RNA)
where:
Base-Base interactions energy: -585.535
where: short stacking energy: -238.445
Base-Backbone interact. energy: -2.076
local terms energy: -252.709922
where:
bonds (distance) C4'-P energy: -55.055
bonds (distance) P-C4' energy: -56.299
flat angles C4'-P-C4' energy: -51.871
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -57.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -679.648893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.648893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.648893 (E_RNA)
where:
Base-Base interactions energy: -448.174
where: short stacking energy: -223.091
Base-Backbone interact. energy: 0.571
local terms energy: -232.046636
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -59.814
flat angles C4'-P-C4' energy: -51.091
flat angles P-C4'-P energy: -36.720
tors. eta vs tors. theta energy: -43.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -573.618322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.618322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.618322 (E_RNA)
where:
Base-Base interactions energy: -365.350
where: short stacking energy: -157.744
Base-Backbone interact. energy: -1.303
local terms energy: -206.965150
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -50.607
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -532.569226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.569226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.569226 (E_RNA)
where:
Base-Base interactions energy: -331.993
where: short stacking energy: -147.330
Base-Backbone interact. energy: -1.297
local terms energy: -199.278810
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -45.320
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -30.145
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1141.534694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.534694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.534694 (E_RNA)
where:
Base-Base interactions energy: -799.387
where: short stacking energy: -335.208
Base-Backbone interact. energy: -0.204
local terms energy: -341.943960
where:
bonds (distance) C4'-P energy: -60.977
bonds (distance) P-C4' energy: -67.066
flat angles C4'-P-C4' energy: -70.939
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -99.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1078.187724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.187724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.187724 (E_RNA)
where:
Base-Base interactions energy: -760.296
where: short stacking energy: -315.669
Base-Backbone interact. energy: -2.155
local terms energy: -315.737317
where:
bonds (distance) C4'-P energy: -60.025
bonds (distance) P-C4' energy: -53.810
flat angles C4'-P-C4' energy: -70.669
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -86.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1074.618702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.618702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.618702 (E_RNA)
where:
Base-Base interactions energy: -763.848
where: short stacking energy: -324.434
Base-Backbone interact. energy: -1.468
local terms energy: -309.302416
where:
bonds (distance) C4'-P energy: -52.558
bonds (distance) P-C4' energy: -57.670
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -93.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1015.645642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.645642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.645642 (E_RNA)
where:
Base-Base interactions energy: -716.007
where: short stacking energy: -311.114
Base-Backbone interact. energy: -0.289
local terms energy: -299.350284
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -65.046
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -81.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -977.377611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.377611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.377611 (E_RNA)
where:
Base-Base interactions energy: -668.567
where: short stacking energy: -309.165
Base-Backbone interact. energy: 0.769
local terms energy: -309.579258
where:
bonds (distance) C4'-P energy: -57.813
bonds (distance) P-C4' energy: -63.012
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -89.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -966.510286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.510286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.510286 (E_RNA)
where:
Base-Base interactions energy: -653.838
where: short stacking energy: -291.580
Base-Backbone interact. energy: -1.677
local terms energy: -310.995255
where:
bonds (distance) C4'-P energy: -63.108
bonds (distance) P-C4' energy: -59.578
flat angles C4'-P-C4' energy: -64.075
flat angles P-C4'-P energy: -39.614
tors. eta vs tors. theta energy: -84.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -870.829073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.829073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.829073 (E_RNA)
where:
Base-Base interactions energy: -609.899
where: short stacking energy: -257.992
Base-Backbone interact. energy: 0.101
local terms energy: -261.031198
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -55.345
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -75.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -696.432786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.432786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.432786 (E_RNA)
where:
Base-Base interactions energy: -454.665
where: short stacking energy: -196.513
Base-Backbone interact. energy: 0.619
local terms energy: -242.386768
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -46.213
flat angles C4'-P-C4' energy: -50.649
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -50.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -681.980499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.980499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.980499 (E_RNA)
where:
Base-Base interactions energy: -447.671
where: short stacking energy: -209.746
Base-Backbone interact. energy: 0.496
local terms energy: -234.804705
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -56.916
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -38.708
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -583.752881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.752881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.752881 (E_RNA)
where:
Base-Base interactions energy: -382.467
where: short stacking energy: -175.642
Base-Backbone interact. energy: 1.386
local terms energy: -202.671601
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1143.207058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.207058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.207058 (E_RNA)
where:
Base-Base interactions energy: -801.396
where: short stacking energy: -341.174
Base-Backbone interact. energy: -2.084
local terms energy: -339.726792
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -59.454
flat angles C4'-P-C4' energy: -73.505
flat angles P-C4'-P energy: -51.777
tors. eta vs tors. theta energy: -97.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1093.006568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.006568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.006568 (E_RNA)
where:
Base-Base interactions energy: -793.804
where: short stacking energy: -334.022
Base-Backbone interact. energy: 0.024
local terms energy: -299.226037
where:
bonds (distance) C4'-P energy: -61.031
bonds (distance) P-C4' energy: -50.170
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -37.676
tors. eta vs tors. theta energy: -90.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1081.326220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.326220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.326220 (E_RNA)
where:
Base-Base interactions energy: -771.320
where: short stacking energy: -314.947
Base-Backbone interact. energy: -1.049
local terms energy: -308.957272
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -64.792
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -89.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -993.597900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.597900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.597900 (E_RNA)
where:
Base-Base interactions energy: -683.330
where: short stacking energy: -298.306
Base-Backbone interact. energy: 4.723
local terms energy: -314.990861
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -82.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1032.362385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.362385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.362385 (E_RNA)
where:
Base-Base interactions energy: -713.296
where: short stacking energy: -332.384
Base-Backbone interact. energy: -1.070
local terms energy: -317.996497
where:
bonds (distance) C4'-P energy: -51.350
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -70.637
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -96.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -940.561917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.561917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.561917 (E_RNA)
where:
Base-Base interactions energy: -647.726
where: short stacking energy: -295.292
Base-Backbone interact. energy: 0.052
local terms energy: -292.887727
where:
bonds (distance) C4'-P energy: -59.355
bonds (distance) P-C4' energy: -61.828
flat angles C4'-P-C4' energy: -52.995
flat angles P-C4'-P energy: -39.443
tors. eta vs tors. theta energy: -79.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -841.119448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.119448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.119448 (E_RNA)
where:
Base-Base interactions energy: -583.888
where: short stacking energy: -241.967
Base-Backbone interact. energy: -0.597
local terms energy: -256.634576
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -65.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -740.165749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.165749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.165749 (E_RNA)
where:
Base-Base interactions energy: -487.708
where: short stacking energy: -224.909
Base-Backbone interact. energy: -1.807
local terms energy: -250.650741
where:
bonds (distance) C4'-P energy: -67.373
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -50.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -590.054253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.054253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.054253 (E_RNA)
where:
Base-Base interactions energy: -380.755
where: short stacking energy: -183.474
Base-Backbone interact. energy: -0.861
local terms energy: -208.438269
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -55.861
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -29.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -637.232349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.232349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.232349 (E_RNA)
where:
Base-Base interactions energy: -438.354
where: short stacking energy: -201.117
Base-Backbone interact. energy: 1.015
local terms energy: -199.893769
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -30.729
tors. eta vs tors. theta energy: -36.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1150.819516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.819516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.819516 (E_RNA)
where:
Base-Base interactions energy: -795.924
where: short stacking energy: -346.471
Base-Backbone interact. energy: -1.813
local terms energy: -353.081624
where:
bonds (distance) C4'-P energy: -64.140
bonds (distance) P-C4' energy: -69.314
flat angles C4'-P-C4' energy: -73.207
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -99.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1100.660892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.660892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.660892 (E_RNA)
where:
Base-Base interactions energy: -786.928
where: short stacking energy: -318.638
Base-Backbone interact. energy: 4.960
local terms energy: -318.692795
where:
bonds (distance) C4'-P energy: -68.683
bonds (distance) P-C4' energy: -58.140
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -43.508
tors. eta vs tors. theta energy: -92.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1077.073651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.073651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.073651 (E_RNA)
where:
Base-Base interactions energy: -760.052
where: short stacking energy: -328.744
Base-Backbone interact. energy: -2.146
local terms energy: -314.875444
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -71.379
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -94.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -976.591454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.591454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.591454 (E_RNA)
where:
Base-Base interactions energy: -669.616
where: short stacking energy: -302.768
Base-Backbone interact. energy: -1.212
local terms energy: -305.763650
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -66.450
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: -84.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -988.939071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.939071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.939071 (E_RNA)
where:
Base-Base interactions energy: -686.804
where: short stacking energy: -312.247
Base-Backbone interact. energy: 0.589
local terms energy: -302.723963
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -63.675
flat angles P-C4'-P energy: -43.172
tors. eta vs tors. theta energy: -88.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -939.980810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.980810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.980810 (E_RNA)
where:
Base-Base interactions energy: -648.283
where: short stacking energy: -281.266
Base-Backbone interact. energy: -0.294
local terms energy: -291.403393
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -36.403
tors. eta vs tors. theta energy: -86.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -841.427452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.427452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.427452 (E_RNA)
where:
Base-Base interactions energy: -587.955
where: short stacking energy: -252.099
Base-Backbone interact. energy: -0.148
local terms energy: -253.324866
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -68.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -717.381997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.381997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.381997 (E_RNA)
where:
Base-Base interactions energy: -476.354
where: short stacking energy: -216.846
Base-Backbone interact. energy: -0.897
local terms energy: -240.130881
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -51.667
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -59.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -599.302556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.302556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.302556 (E_RNA)
where:
Base-Base interactions energy: -366.435
where: short stacking energy: -159.078
Base-Backbone interact. energy: -1.565
local terms energy: -231.302807
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -51.017
flat angles C4'-P-C4' energy: -53.553
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -611.202035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.202035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.202035 (E_RNA)
where:
Base-Base interactions energy: -424.617
where: short stacking energy: -192.695
Base-Backbone interact. energy: 2.104
local terms energy: -188.688433
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -44.083
flat angles C4'-P-C4' energy: -44.455
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -32.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1114.213437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.213437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.213437 (E_RNA)
where:
Base-Base interactions energy: -788.822
where: short stacking energy: -333.992
Base-Backbone interact. energy: -1.674
local terms energy: -323.718052
where:
bonds (distance) C4'-P energy: -56.745
bonds (distance) P-C4' energy: -60.530
flat angles C4'-P-C4' energy: -70.231
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -92.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1122.584848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.584848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.584848 (E_RNA)
where:
Base-Base interactions energy: -781.873
where: short stacking energy: -326.909
Base-Backbone interact. energy: -0.986
local terms energy: -339.725707
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -67.187
flat angles C4'-P-C4' energy: -71.484
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: -97.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1081.471625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.471625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.471625 (E_RNA)
where:
Base-Base interactions energy: -767.724
where: short stacking energy: -315.192
Base-Backbone interact. energy: -1.154
local terms energy: -312.593184
where:
bonds (distance) C4'-P energy: -61.100
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -69.455
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -92.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1002.402777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.402777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.402777 (E_RNA)
where:
Base-Base interactions energy: -699.899
where: short stacking energy: -302.201
Base-Backbone interact. energy: -0.396
local terms energy: -302.108199
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -57.231
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: -90.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -981.796785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.796785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.796785 (E_RNA)
where:
Base-Base interactions energy: -681.468
where: short stacking energy: -299.357
Base-Backbone interact. energy: -1.283
local terms energy: -299.046550
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -74.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -935.848660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.848660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.848660 (E_RNA)
where:
Base-Base interactions energy: -653.757
where: short stacking energy: -274.969
Base-Backbone interact. energy: -0.258
local terms energy: -281.834051
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -84.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -858.425418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.425418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.425418 (E_RNA)
where:
Base-Base interactions energy: -604.559
where: short stacking energy: -254.785
Base-Backbone interact. energy: 0.131
local terms energy: -253.997560
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -56.480
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -60.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -714.410278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.410278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.410278 (E_RNA)
where:
Base-Base interactions energy: -487.587
where: short stacking energy: -208.296
Base-Backbone interact. energy: -0.738
local terms energy: -226.084647
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -34.866
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -632.468947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.468947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.468947 (E_RNA)
where:
Base-Base interactions energy: -431.410
where: short stacking energy: -188.009
Base-Backbone interact. energy: -0.872
local terms energy: -200.186640
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -56.606
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -30.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -592.825377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.825377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.825377 (E_RNA)
where:
Base-Base interactions energy: -371.405
where: short stacking energy: -170.996
Base-Backbone interact. energy: -1.946
local terms energy: -219.474046
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -60.094
flat angles P-C4'-P energy: -30.987
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1094.890462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.890462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.890462 (E_RNA)
where:
Base-Base interactions energy: -768.150
where: short stacking energy: -318.732
Base-Backbone interact. energy: -1.672
local terms energy: -325.068863
where:
bonds (distance) C4'-P energy: -58.279
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -65.638
flat angles P-C4'-P energy: -59.036
tors. eta vs tors. theta energy: -85.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1116.455464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.455464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.455464 (E_RNA)
where:
Base-Base interactions energy: -784.744
where: short stacking energy: -343.006
Base-Backbone interact. energy: -0.530
local terms energy: -331.181175
where:
bonds (distance) C4'-P energy: -62.668
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -72.490
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -96.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1087.521144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.521144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.521144 (E_RNA)
where:
Base-Base interactions energy: -781.707
where: short stacking energy: -313.830
Base-Backbone interact. energy: -1.312
local terms energy: -304.502075
where:
bonds (distance) C4'-P energy: -57.859
bonds (distance) P-C4' energy: -61.622
flat angles C4'-P-C4' energy: -62.892
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -86.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -990.128916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.128916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.128916 (E_RNA)
where:
Base-Base interactions energy: -689.269
where: short stacking energy: -303.789
Base-Backbone interact. energy: 0.369
local terms energy: -301.228968
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -53.537
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -84.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -982.061939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.061939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.061939 (E_RNA)
where:
Base-Base interactions energy: -682.882
where: short stacking energy: -295.721
Base-Backbone interact. energy: -0.705
local terms energy: -298.475181
where:
bonds (distance) C4'-P energy: -57.307
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -83.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -943.950564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.950564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.950564 (E_RNA)
where:
Base-Base interactions energy: -655.321
where: short stacking energy: -286.097
Base-Backbone interact. energy: -0.605
local terms energy: -288.024463
where:
bonds (distance) C4'-P energy: -47.380
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -67.769
flat angles P-C4'-P energy: -43.284
tors. eta vs tors. theta energy: -78.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -841.843816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.843816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.843816 (E_RNA)
where:
Base-Base interactions energy: -581.580
where: short stacking energy: -252.243
Base-Backbone interact. energy: -1.251
local terms energy: -259.012973
where:
bonds (distance) C4'-P energy: -43.071
bonds (distance) P-C4' energy: -62.451
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -62.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -745.946133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.946133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.946133 (E_RNA)
where:
Base-Base interactions energy: -511.060
where: short stacking energy: -232.162
Base-Backbone interact. energy: -1.067
local terms energy: -233.819761
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -57.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -692.370628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.370628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.370628 (E_RNA)
where:
Base-Base interactions energy: -461.982
where: short stacking energy: -210.690
Base-Backbone interact. energy: -1.638
local terms energy: -228.750376
where:
bonds (distance) C4'-P energy: -53.831
bonds (distance) P-C4' energy: -44.796
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: -50.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -604.656007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.656007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.656007 (E_RNA)
where:
Base-Base interactions energy: -390.907
where: short stacking energy: -177.338
Base-Backbone interact. energy: -1.180
local terms energy: -212.569115
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -42.518
tors. eta vs tors. theta energy: -31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1149.673762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.673762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.673762 (E_RNA)
where:
Base-Base interactions energy: -822.825
where: short stacking energy: -342.691
Base-Backbone interact. energy: -1.094
local terms energy: -325.754239
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -62.109
flat angles C4'-P-C4' energy: -71.013
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -99.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1064.718911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.718911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.718911 (E_RNA)
where:
Base-Base interactions energy: -748.107
where: short stacking energy: -324.507
Base-Backbone interact. energy: -0.242
local terms energy: -316.369330
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -64.630
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -84.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1109.042560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.042560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.042560 (E_RNA)
where:
Base-Base interactions energy: -803.954
where: short stacking energy: -327.566
Base-Backbone interact. energy: -1.328
local terms energy: -303.760391
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -58.272
flat angles C4'-P-C4' energy: -59.964
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -91.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1002.312125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.312125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.312125 (E_RNA)
where:
Base-Base interactions energy: -690.930
where: short stacking energy: -296.706
Base-Backbone interact. energy: -0.521
local terms energy: -310.861367
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -60.998
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -94.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -973.312469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.312469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.312469 (E_RNA)
where:
Base-Base interactions energy: -680.207
where: short stacking energy: -285.324
Base-Backbone interact. energy: -1.765
local terms energy: -291.340573
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -61.656
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -81.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -916.872937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.872937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.872937 (E_RNA)
where:
Base-Base interactions energy: -623.534
where: short stacking energy: -268.629
Base-Backbone interact. energy: -2.389
local terms energy: -290.950112
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -62.065
flat angles P-C4'-P energy: -42.519
tors. eta vs tors. theta energy: -82.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -850.386337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.386337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.386337 (E_RNA)
where:
Base-Base interactions energy: -596.127
where: short stacking energy: -266.304
Base-Backbone interact. energy: -2.052
local terms energy: -252.208105
where:
bonds (distance) C4'-P energy: -40.855
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -71.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -709.524755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.524755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.524755 (E_RNA)
where:
Base-Base interactions energy: -441.503
where: short stacking energy: -213.947
Base-Backbone interact. energy: 0.796
local terms energy: -268.818176
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -43.300
tors. eta vs tors. theta energy: -48.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -646.608774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.608774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.608774 (E_RNA)
where:
Base-Base interactions energy: -428.222
where: short stacking energy: -187.777
Base-Backbone interact. energy: 0.357
local terms energy: -218.743372
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -33.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -524.098834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.098834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.098834 (E_RNA)
where:
Base-Base interactions energy: -339.355
where: short stacking energy: -152.652
Base-Backbone interact. energy: 0.074
local terms energy: -184.817818
where:
bonds (distance) C4'-P energy: -57.535
bonds (distance) P-C4' energy: -47.876
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1144.378124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.378124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.378124 (E_RNA)
where:
Base-Base interactions energy: -814.014
where: short stacking energy: -349.524
Base-Backbone interact. energy: 1.156
local terms energy: -331.520361
where:
bonds (distance) C4'-P energy: -61.382
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -70.994
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -100.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1109.659847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.659847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.659847 (E_RNA)
where:
Base-Base interactions energy: -776.913
where: short stacking energy: -328.184
Base-Backbone interact. energy: -1.278
local terms energy: -331.469295
where:
bonds (distance) C4'-P energy: -63.678
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -92.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1057.609130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.609130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.609130 (E_RNA)
where:
Base-Base interactions energy: -744.373
where: short stacking energy: -312.256
Base-Backbone interact. energy: -4.449
local terms energy: -308.787187
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -59.959
flat angles C4'-P-C4' energy: -55.991
flat angles P-C4'-P energy: -51.903
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -995.995089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.995089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.995089 (E_RNA)
where:
Base-Base interactions energy: -694.529
where: short stacking energy: -291.122
Base-Backbone interact. energy: -0.380
local terms energy: -301.086057
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: -78.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -972.480980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.480980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.480980 (E_RNA)
where:
Base-Base interactions energy: -667.547
where: short stacking energy: -288.600
Base-Backbone interact. energy: -0.852
local terms energy: -304.082254
where:
bonds (distance) C4'-P energy: -57.842
bonds (distance) P-C4' energy: -60.967
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -81.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -931.092166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.092166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.092166 (E_RNA)
where:
Base-Base interactions energy: -636.425
where: short stacking energy: -274.234
Base-Backbone interact. energy: -1.628
local terms energy: -293.038963
where:
bonds (distance) C4'-P energy: -62.011
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -84.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -832.629301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.629301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.629301 (E_RNA)
where:
Base-Base interactions energy: -584.791
where: short stacking energy: -249.439
Base-Backbone interact. energy: -1.058
local terms energy: -246.780241
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -37.903
flat angles C4'-P-C4' energy: -53.885
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -66.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -700.258178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.258178 (E_RNA)
where:
Base-Base interactions energy: -463.786
where: short stacking energy: -211.734
Base-Backbone interact. energy: -1.492
local terms energy: -234.980531
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -45.859
flat angles C4'-P-C4' energy: -58.402
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -51.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -702.509793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.509793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.509793 (E_RNA)
where:
Base-Base interactions energy: -453.960
where: short stacking energy: -195.392
Base-Backbone interact. energy: -0.826
local terms energy: -247.723588
where:
bonds (distance) C4'-P energy: -50.922
bonds (distance) P-C4' energy: -60.007
flat angles C4'-P-C4' energy: -56.346
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -498.499891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.499891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.499891 (E_RNA)
where:
Base-Base interactions energy: -311.406
where: short stacking energy: -150.950
Base-Backbone interact. energy: -0.729
local terms energy: -186.365091
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -44.242
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1115.012494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.012494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.012494 (E_RNA)
where:
Base-Base interactions energy: -790.367
where: short stacking energy: -343.051
Base-Backbone interact. energy: -1.726
local terms energy: -322.919698
where:
bonds (distance) C4'-P energy: -64.950
bonds (distance) P-C4' energy: -60.211
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -37.390
tors. eta vs tors. theta energy: -92.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1137.949284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.949284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.949284 (E_RNA)
where:
Base-Base interactions energy: -787.328
where: short stacking energy: -333.327
Base-Backbone interact. energy: -1.152
local terms energy: -349.469567
where:
bonds (distance) C4'-P energy: -63.637
bonds (distance) P-C4' energy: -59.981
flat angles C4'-P-C4' energy: -77.449
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -104.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1069.814458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.814458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.814458 (E_RNA)
where:
Base-Base interactions energy: -757.757
where: short stacking energy: -305.520
Base-Backbone interact. energy: 0.303
local terms energy: -312.360848
where:
bonds (distance) C4'-P energy: -53.658
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -92.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1019.195687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.195687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.195687 (E_RNA)
where:
Base-Base interactions energy: -707.327
where: short stacking energy: -304.314
Base-Backbone interact. energy: -0.966
local terms energy: -310.902989
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -66.672
flat angles C4'-P-C4' energy: -69.459
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1001.090700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.090700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.090700 (E_RNA)
where:
Base-Base interactions energy: -687.748
where: short stacking energy: -307.299
Base-Backbone interact. energy: 1.049
local terms energy: -314.391674
where:
bonds (distance) C4'-P energy: -56.952
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -69.285
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -88.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -913.785913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.785913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.785913 (E_RNA)
where:
Base-Base interactions energy: -623.099
where: short stacking energy: -274.147
Base-Backbone interact. energy: -1.544
local terms energy: -289.143377
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -78.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -852.740719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.740719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.740719 (E_RNA)
where:
Base-Base interactions energy: -585.195
where: short stacking energy: -253.421
Base-Backbone interact. energy: -2.309
local terms energy: -265.236455
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -63.329
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -71.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -694.517831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.517831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.517831 (E_RNA)
where:
Base-Base interactions energy: -467.990
where: short stacking energy: -202.520
Base-Backbone interact. energy: -0.583
local terms energy: -225.945045
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -50.008
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -706.824560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.824560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.824560 (E_RNA)
where:
Base-Base interactions energy: -480.191
where: short stacking energy: -209.820
Base-Backbone interact. energy: -1.250
local terms energy: -225.383889
where:
bonds (distance) C4'-P energy: -41.784
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -51.103
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -43.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -535.448907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.448907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.448907 (E_RNA)
where:
Base-Base interactions energy: -322.929
where: short stacking energy: -157.667
Base-Backbone interact. energy: -0.371
local terms energy: -212.148283
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -29.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1118.965780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.965780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.965780 (E_RNA)
where:
Base-Base interactions energy: -792.322
where: short stacking energy: -324.987
Base-Backbone interact. energy: -0.910
local terms energy: -325.734107
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -62.659
flat angles C4'-P-C4' energy: -69.352
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -90.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1123.857525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.857525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.857525 (E_RNA)
where:
Base-Base interactions energy: -801.816
where: short stacking energy: -354.607
Base-Backbone interact. energy: -0.863
local terms energy: -321.178790
where:
bonds (distance) C4'-P energy: -58.961
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -103.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1063.363845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.363845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.363845 (E_RNA)
where:
Base-Base interactions energy: -729.986
where: short stacking energy: -297.602
Base-Backbone interact. energy: 0.479
local terms energy: -333.857716
where:
bonds (distance) C4'-P energy: -61.046
bonds (distance) P-C4' energy: -65.314
flat angles C4'-P-C4' energy: -70.272
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -86.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -996.615560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.615560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.615560 (E_RNA)
where:
Base-Base interactions energy: -700.668
where: short stacking energy: -296.486
Base-Backbone interact. energy: 0.671
local terms energy: -296.618278
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -68.954
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -77.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -981.390720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.390720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.390720 (E_RNA)
where:
Base-Base interactions energy: -685.624
where: short stacking energy: -293.450
Base-Backbone interact. energy: 2.229
local terms energy: -297.995534
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -64.489
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -932.509280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.509280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.509280 (E_RNA)
where:
Base-Base interactions energy: -656.946
where: short stacking energy: -291.016
Base-Backbone interact. energy: -0.119
local terms energy: -275.443924
where:
bonds (distance) C4'-P energy: -61.842
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -818.767155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.767155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.767155 (E_RNA)
where:
Base-Base interactions energy: -564.358
where: short stacking energy: -212.512
Base-Backbone interact. energy: 0.564
local terms energy: -254.973933
where:
bonds (distance) C4'-P energy: -41.620
bonds (distance) P-C4' energy: -59.201
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -56.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -681.360832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.360832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.360832 (E_RNA)
where:
Base-Base interactions energy: -453.266
where: short stacking energy: -196.743
Base-Backbone interact. energy: -0.536
local terms energy: -227.559267
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -37.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -674.972605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.972605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.972605 (E_RNA)
where:
Base-Base interactions energy: -443.914
where: short stacking energy: -200.568
Base-Backbone interact. energy: -1.837
local terms energy: -229.221693
where:
bonds (distance) C4'-P energy: -47.450
bonds (distance) P-C4' energy: -43.557
flat angles C4'-P-C4' energy: -56.681
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -555.399455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.399455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.399455 (E_RNA)
where:
Base-Base interactions energy: -356.677
where: short stacking energy: -181.418
Base-Backbone interact. energy: -1.762
local terms energy: -196.960524
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -42.892
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -38.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1138.236291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.236291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.236291 (E_RNA)
where:
Base-Base interactions energy: -797.313
where: short stacking energy: -344.012
Base-Backbone interact. energy: -2.680
local terms energy: -338.243041
where:
bonds (distance) C4'-P energy: -59.612
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: -103.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1127.595760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.595760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.595760 (E_RNA)
where:
Base-Base interactions energy: -798.640
where: short stacking energy: -329.083
Base-Backbone interact. energy: -1.256
local terms energy: -327.699942
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -59.367
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -52.629
tors. eta vs tors. theta energy: -91.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1068.015150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.015150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.015150 (E_RNA)
where:
Base-Base interactions energy: -747.820
where: short stacking energy: -313.556
Base-Backbone interact. energy: 1.547
local terms energy: -321.742641
where:
bonds (distance) C4'-P energy: -60.661
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -67.756
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -90.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1000.680506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.680506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.680506 (E_RNA)
where:
Base-Base interactions energy: -691.077
where: short stacking energy: -304.271
Base-Backbone interact. energy: -1.110
local terms energy: -308.493404
where:
bonds (distance) C4'-P energy: -62.759
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -83.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -989.038923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.038923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.038923 (E_RNA)
where:
Base-Base interactions energy: -700.521
where: short stacking energy: -285.332
Base-Backbone interact. energy: 0.579
local terms energy: -289.097475
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -49.579
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -43.999
tors. eta vs tors. theta energy: -81.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -945.099286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.099286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.099286 (E_RNA)
where:
Base-Base interactions energy: -662.199
where: short stacking energy: -276.719
Base-Backbone interact. energy: 2.070
local terms energy: -284.970676
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -61.890
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -84.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -861.927923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.927923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.927923 (E_RNA)
where:
Base-Base interactions energy: -591.246
where: short stacking energy: -257.492
Base-Backbone interact. energy: -2.089
local terms energy: -268.593354
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -62.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -712.255288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.255288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.255288 (E_RNA)
where:
Base-Base interactions energy: -468.148
where: short stacking energy: -206.784
Base-Backbone interact. energy: -1.133
local terms energy: -242.974774
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -49.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -715.763771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.763771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.763771 (E_RNA)
where:
Base-Base interactions energy: -479.717
where: short stacking energy: -205.402
Base-Backbone interact. energy: -0.856
local terms energy: -235.190754
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -46.567
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -49.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -502.420245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.420245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.420245 (E_RNA)
where:
Base-Base interactions energy: -305.332
where: short stacking energy: -127.395
Base-Backbone interact. energy: 1.109
local terms energy: -198.196320
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -45.610
flat angles P-C4'-P energy: -43.425
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1140.825544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.825544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.825544 (E_RNA)
where:
Base-Base interactions energy: -772.273
where: short stacking energy: -333.517
Base-Backbone interact. energy: -1.451
local terms energy: -367.100991
where:
bonds (distance) C4'-P energy: -66.136
bonds (distance) P-C4' energy: -69.791
flat angles C4'-P-C4' energy: -76.479
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -104.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1121.656739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.656739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.656739 (E_RNA)
where:
Base-Base interactions energy: -805.947
where: short stacking energy: -333.506
Base-Backbone interact. energy: -1.360
local terms energy: -314.349273
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -92.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1061.694732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.694732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.694732 (E_RNA)
where:
Base-Base interactions energy: -739.673
where: short stacking energy: -314.315
Base-Backbone interact. energy: -0.546
local terms energy: -321.475458
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -71.467
flat angles P-C4'-P energy: -42.060
tors. eta vs tors. theta energy: -89.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1013.177146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.177146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.177146 (E_RNA)
where:
Base-Base interactions energy: -715.904
where: short stacking energy: -302.272
Base-Backbone interact. energy: -0.691
local terms energy: -296.581470
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -55.053
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -87.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -964.181163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.181163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.181163 (E_RNA)
where:
Base-Base interactions energy: -688.067
where: short stacking energy: -276.923
Base-Backbone interact. energy: 1.602
local terms energy: -277.716760
where:
bonds (distance) C4'-P energy: -56.685
bonds (distance) P-C4' energy: -48.253
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -72.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -915.836060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.836060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.836060 (E_RNA)
where:
Base-Base interactions energy: -647.070
where: short stacking energy: -284.987
Base-Backbone interact. energy: -1.392
local terms energy: -267.374331
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -54.041
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -77.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -804.536282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.536282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.536282 (E_RNA)
where:
Base-Base interactions energy: -531.189
where: short stacking energy: -228.675
Base-Backbone interact. energy: 0.508
local terms energy: -273.855308
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -57.331
flat angles C4'-P-C4' energy: -68.179
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: -64.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -727.583060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.583060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.583060 (E_RNA)
where:
Base-Base interactions energy: -471.252
where: short stacking energy: -205.419
Base-Backbone interact. energy: 1.017
local terms energy: -257.348332
where:
bonds (distance) C4'-P energy: -50.159
bonds (distance) P-C4' energy: -66.647
flat angles C4'-P-C4' energy: -50.091
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -50.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -686.962838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.962838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.962838 (E_RNA)
where:
Base-Base interactions energy: -459.986
where: short stacking energy: -200.891
Base-Backbone interact. energy: 1.070
local terms energy: -228.046799
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -38.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -500.841798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.841798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.841798 (E_RNA)
where:
Base-Base interactions energy: -336.558
where: short stacking energy: -138.005
Base-Backbone interact. energy: -0.797
local terms energy: -163.487619
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1143.177112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.177112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.177112 (E_RNA)
where:
Base-Base interactions energy: -819.556
where: short stacking energy: -341.864
Base-Backbone interact. energy: -2.253
local terms energy: -321.368097
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -54.772
flat angles C4'-P-C4' energy: -72.313
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -92.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1112.501859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.501859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.501859 (E_RNA)
where:
Base-Base interactions energy: -788.459
where: short stacking energy: -326.239
Base-Backbone interact. energy: -1.727
local terms energy: -322.316005
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -95.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1023.275385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.275385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.275385 (E_RNA)
where:
Base-Base interactions energy: -705.488
where: short stacking energy: -299.725
Base-Backbone interact. energy: -0.892
local terms energy: -316.895602
where:
bonds (distance) C4'-P energy: -66.491
bonds (distance) P-C4' energy: -52.132
flat angles C4'-P-C4' energy: -67.820
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -90.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1038.140951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.140951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.140951 (E_RNA)
where:
Base-Base interactions energy: -717.275
where: short stacking energy: -307.151
Base-Backbone interact. energy: -2.281
local terms energy: -318.585297
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -57.637
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -53.017
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -965.384850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.384850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.384850 (E_RNA)
where:
Base-Base interactions energy: -666.486
where: short stacking energy: -284.065
Base-Backbone interact. energy: -0.191
local terms energy: -298.707517
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -79.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -907.543292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.543292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.543292 (E_RNA)
where:
Base-Base interactions energy: -632.276
where: short stacking energy: -269.714
Base-Backbone interact. energy: 0.077
local terms energy: -275.344144
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -60.802
flat angles C4'-P-C4' energy: -55.982
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -77.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -825.747968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.747968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.747968 (E_RNA)
where:
Base-Base interactions energy: -557.765
where: short stacking energy: -226.732
Base-Backbone interact. energy: -1.054
local terms energy: -266.928711
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -62.568
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -56.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -724.291602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.291602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.291602 (E_RNA)
where:
Base-Base interactions energy: -464.642
where: short stacking energy: -215.709
Base-Backbone interact. energy: -0.610
local terms energy: -259.039594
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -34.994
tors. eta vs tors. theta energy: -61.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -695.006930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.006930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.006930 (E_RNA)
where:
Base-Base interactions energy: -463.121
where: short stacking energy: -223.509
Base-Backbone interact. energy: 0.802
local terms energy: -232.687823
where:
bonds (distance) C4'-P energy: -43.912
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -486.007567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.007567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.007567 (E_RNA)
where:
Base-Base interactions energy: -293.256
where: short stacking energy: -131.480
Base-Backbone interact. energy: 0.436
local terms energy: -193.187199
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1132.921382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.921382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.921382 (E_RNA)
where:
Base-Base interactions energy: -794.756
where: short stacking energy: -322.802
Base-Backbone interact. energy: -0.868
local terms energy: -337.297377
where:
bonds (distance) C4'-P energy: -62.896
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -72.583
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: -95.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1051.197721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.197721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.197721 (E_RNA)
where:
Base-Base interactions energy: -734.924
where: short stacking energy: -314.997
Base-Backbone interact. energy: -1.851
local terms energy: -314.423292
where:
bonds (distance) C4'-P energy: -56.681
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -84.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1099.635671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.635671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.635671 (E_RNA)
where:
Base-Base interactions energy: -765.585
where: short stacking energy: -327.153
Base-Backbone interact. energy: -0.276
local terms energy: -333.774857
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -71.236
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -101.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1050.125221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.125221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.125221 (E_RNA)
where:
Base-Base interactions energy: -732.510
where: short stacking energy: -307.824
Base-Backbone interact. energy: 0.063
local terms energy: -317.678849
where:
bonds (distance) C4'-P energy: -58.632
bonds (distance) P-C4' energy: -66.342
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -90.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -959.548804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.548804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.548804 (E_RNA)
where:
Base-Base interactions energy: -660.961
where: short stacking energy: -257.010
Base-Backbone interact. energy: -0.238
local terms energy: -298.350116
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: -72.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -939.004538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.004538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.004538 (E_RNA)
where:
Base-Base interactions energy: -655.503
where: short stacking energy: -280.507
Base-Backbone interact. energy: -0.493
local terms energy: -283.008877
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -67.437
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: -81.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -862.257128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.257128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.257128 (E_RNA)
where:
Base-Base interactions energy: -604.872
where: short stacking energy: -236.523
Base-Backbone interact. energy: -0.574
local terms energy: -256.810292
where:
bonds (distance) C4'-P energy: -64.217
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -68.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -725.304641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.304641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.304641 (E_RNA)
where:
Base-Base interactions energy: -467.056
where: short stacking energy: -221.745
Base-Backbone interact. energy: -0.740
local terms energy: -257.509273
where:
bonds (distance) C4'-P energy: -48.809
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -56.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -662.002707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.002707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.002707 (E_RNA)
where:
Base-Base interactions energy: -441.675
where: short stacking energy: -193.818
Base-Backbone interact. energy: 0.593
local terms energy: -220.920603
where:
bonds (distance) C4'-P energy: -43.195
bonds (distance) P-C4' energy: -45.718
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -40.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -509.148295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.148295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.148295 (E_RNA)
where:
Base-Base interactions energy: -312.316
where: short stacking energy: -144.085
Base-Backbone interact. energy: -0.832
local terms energy: -196.000331
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1150.047625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.047625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.047625 (E_RNA)
where:
Base-Base interactions energy: -797.946
where: short stacking energy: -348.749
Base-Backbone interact. energy: -1.564
local terms energy: -350.538240
where:
bonds (distance) C4'-P energy: -64.988
bonds (distance) P-C4' energy: -65.215
flat angles C4'-P-C4' energy: -75.049
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -96.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1083.132580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.132580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.132580 (E_RNA)
where:
Base-Base interactions energy: -744.439
where: short stacking energy: -333.829
Base-Backbone interact. energy: -0.252
local terms energy: -338.440689
where:
bonds (distance) C4'-P energy: -64.418
bonds (distance) P-C4' energy: -71.672
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -90.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1126.498568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.498568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.498568 (E_RNA)
where:
Base-Base interactions energy: -785.489
where: short stacking energy: -332.944
Base-Backbone interact. energy: -0.968
local terms energy: -340.040776
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -69.463
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -104.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1036.885137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.885137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.885137 (E_RNA)
where:
Base-Base interactions energy: -743.378
where: short stacking energy: -310.939
Base-Backbone interact. energy: -1.950
local terms energy: -291.556837
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -46.924
tors. eta vs tors. theta energy: -79.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -974.773923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.773923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.773923 (E_RNA)
where:
Base-Base interactions energy: -675.057
where: short stacking energy: -285.476
Base-Backbone interact. energy: -1.706
local terms energy: -298.010967
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -84.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -944.178580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.178580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.178580 (E_RNA)
where:
Base-Base interactions energy: -651.343
where: short stacking energy: -298.896
Base-Backbone interact. energy: -0.827
local terms energy: -292.007997
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -64.223
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -81.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -838.940492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.940492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.940492 (E_RNA)
where:
Base-Base interactions energy: -583.069
where: short stacking energy: -230.856
Base-Backbone interact. energy: -0.350
local terms energy: -255.521822
where:
bonds (distance) C4'-P energy: -52.730
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -54.014
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -752.277554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.277554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.277554 (E_RNA)
where:
Base-Base interactions energy: -492.564
where: short stacking energy: -214.339
Base-Backbone interact. energy: -0.815
local terms energy: -258.898552
where:
bonds (distance) C4'-P energy: -49.138
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -668.697451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.697451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.697451 (E_RNA)
where:
Base-Base interactions energy: -449.729
where: short stacking energy: -197.535
Base-Backbone interact. energy: -2.147
local terms energy: -216.820508
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: -38.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -501.791885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.791885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.791885 (E_RNA)
where:
Base-Base interactions energy: -301.377
where: short stacking energy: -150.901
Base-Backbone interact. energy: -0.400
local terms energy: -200.014749
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -56.207
flat angles C4'-P-C4' energy: -45.903
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1152.246560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.246560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.246560 (E_RNA)
where:
Base-Base interactions energy: -812.520
where: short stacking energy: -344.714
Base-Backbone interact. energy: -2.096
local terms energy: -337.630399
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -61.795
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -92.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1123.646361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.646361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.646361 (E_RNA)
where:
Base-Base interactions energy: -798.132
where: short stacking energy: -341.198
Base-Backbone interact. energy: -1.217
local terms energy: -324.296946
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -60.128
flat angles C4'-P-C4' energy: -61.659
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -103.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1048.065897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.065897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.065897 (E_RNA)
where:
Base-Base interactions energy: -745.702
where: short stacking energy: -307.732
Base-Backbone interact. energy: -1.199
local terms energy: -301.164603
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -55.469
flat angles C4'-P-C4' energy: -71.365
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -82.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1040.532090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.532090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.532090 (E_RNA)
where:
Base-Base interactions energy: -738.113
where: short stacking energy: -293.827
Base-Backbone interact. energy: 0.196
local terms energy: -302.615373
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -63.602
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -81.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -997.208938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.208938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.208938 (E_RNA)
where:
Base-Base interactions energy: -704.075
where: short stacking energy: -292.025
Base-Backbone interact. energy: 0.206
local terms energy: -293.339999
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -36.671
tors. eta vs tors. theta energy: -83.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -932.484887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.484887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.484887 (E_RNA)
where:
Base-Base interactions energy: -632.347
where: short stacking energy: -283.036
Base-Backbone interact. energy: -0.759
local terms energy: -299.379307
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -43.679
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -51.926
tors. eta vs tors. theta energy: -78.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -850.076925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.076925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.076925 (E_RNA)
where:
Base-Base interactions energy: -589.424
where: short stacking energy: -249.675
Base-Backbone interact. energy: -0.068
local terms energy: -260.584888
where:
bonds (distance) C4'-P energy: -44.588
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -70.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -768.770210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.770210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.770210 (E_RNA)
where:
Base-Base interactions energy: -518.087
where: short stacking energy: -230.982
Base-Backbone interact. energy: -2.257
local terms energy: -248.426575
where:
bonds (distance) C4'-P energy: -49.745
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -62.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -647.602200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.602200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.602200 (E_RNA)
where:
Base-Base interactions energy: -435.478
where: short stacking energy: -197.611
Base-Backbone interact. energy: -0.245
local terms energy: -211.879328
where:
bonds (distance) C4'-P energy: -48.820
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -36.053
tors. eta vs tors. theta energy: -41.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -505.927405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.927405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.927405 (E_RNA)
where:
Base-Base interactions energy: -285.359
where: short stacking energy: -149.652
Base-Backbone interact. energy: 0.127
local terms energy: -220.695648
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -53.261
flat angles P-C4'-P energy: -31.496
tors. eta vs tors. theta energy: -25.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1144.398312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.398312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.398312 (E_RNA)
where:
Base-Base interactions energy: -793.359
where: short stacking energy: -340.876
Base-Backbone interact. energy: -0.678
local terms energy: -350.360764
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -66.507
flat angles C4'-P-C4' energy: -76.322
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -92.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1117.489306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.489306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.489306 (E_RNA)
where:
Base-Base interactions energy: -794.448
where: short stacking energy: -341.876
Base-Backbone interact. energy: -1.552
local terms energy: -321.489665
where:
bonds (distance) C4'-P energy: -50.997
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -101.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1077.339584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.339584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.339584 (E_RNA)
where:
Base-Base interactions energy: -750.667
where: short stacking energy: -316.328
Base-Backbone interact. energy: 0.058
local terms energy: -326.730582
where:
bonds (distance) C4'-P energy: -65.893
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -87.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1032.895509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.895509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.895509 (E_RNA)
where:
Base-Base interactions energy: -706.866
where: short stacking energy: -309.270
Base-Backbone interact. energy: -1.095
local terms energy: -324.934628
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -70.747
flat angles P-C4'-P energy: -44.358
tors. eta vs tors. theta energy: -91.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -939.842081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.842081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.842081 (E_RNA)
where:
Base-Base interactions energy: -647.502
where: short stacking energy: -272.141
Base-Backbone interact. energy: -0.804
local terms energy: -291.535622
where:
bonds (distance) C4'-P energy: -54.592
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -73.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -921.982519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.982519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.982519 (E_RNA)
where:
Base-Base interactions energy: -633.964
where: short stacking energy: -265.225
Base-Backbone interact. energy: -0.275
local terms energy: -287.743185
where:
bonds (distance) C4'-P energy: -61.757
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -62.859
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -76.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -860.006106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.006106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.006106 (E_RNA)
where:
Base-Base interactions energy: -589.474
where: short stacking energy: -247.836
Base-Backbone interact. energy: -0.708
local terms energy: -269.823731
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -59.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -730.492085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.492085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.492085 (E_RNA)
where:
Base-Base interactions energy: -476.685
where: short stacking energy: -231.504
Base-Backbone interact. energy: -1.539
local terms energy: -252.268409
where:
bonds (distance) C4'-P energy: -49.018
bonds (distance) P-C4' energy: -53.196
flat angles C4'-P-C4' energy: -55.211
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -50.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -642.806943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.806943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.806943 (E_RNA)
where:
Base-Base interactions energy: -426.528
where: short stacking energy: -173.077
Base-Backbone interact. energy: -1.805
local terms energy: -214.473336
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -32.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -469.507327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.507327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.507327 (E_RNA)
where:
Base-Base interactions energy: -271.871
where: short stacking energy: -131.135
Base-Backbone interact. energy: 2.716
local terms energy: -200.352588
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -64.033
flat angles C4'-P-C4' energy: -43.128
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1130.066470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.066470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.066470 (E_RNA)
where:
Base-Base interactions energy: -797.509
where: short stacking energy: -350.075
Base-Backbone interact. energy: -0.705
local terms energy: -331.852742
where:
bonds (distance) C4'-P energy: -63.491
bonds (distance) P-C4' energy: -63.167
flat angles C4'-P-C4' energy: -69.986
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -95.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1123.413698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.413698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.413698 (E_RNA)
where:
Base-Base interactions energy: -784.614
where: short stacking energy: -337.553
Base-Backbone interact. energy: -2.365
local terms energy: -336.435415
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -62.589
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -102.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1050.629328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.629328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.629328 (E_RNA)
where:
Base-Base interactions energy: -741.458
where: short stacking energy: -304.598
Base-Backbone interact. energy: -1.279
local terms energy: -307.892556
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -64.319
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -79.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1035.045167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.045167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.045167 (E_RNA)
where:
Base-Base interactions energy: -718.839
where: short stacking energy: -308.352
Base-Backbone interact. energy: -0.910
local terms energy: -315.296342
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -59.249
flat angles C4'-P-C4' energy: -67.890
flat angles P-C4'-P energy: -49.191
tors. eta vs tors. theta energy: -88.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -956.939746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.939746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.939746 (E_RNA)
where:
Base-Base interactions energy: -645.900
where: short stacking energy: -265.987
Base-Backbone interact. energy: -0.714
local terms energy: -310.326063
where:
bonds (distance) C4'-P energy: -61.193
bonds (distance) P-C4' energy: -58.491
flat angles C4'-P-C4' energy: -68.219
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -84.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -893.605868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.605868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.605868 (E_RNA)
where:
Base-Base interactions energy: -593.856
where: short stacking energy: -280.539
Base-Backbone interact. energy: -0.604
local terms energy: -299.146246
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: -73.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -844.364516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.364516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.364516 (E_RNA)
where:
Base-Base interactions energy: -591.461
where: short stacking energy: -249.673
Base-Backbone interact. energy: -1.562
local terms energy: -251.341833
where:
bonds (distance) C4'-P energy: -52.657
bonds (distance) P-C4' energy: -54.492
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -666.325973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.325973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.325973 (E_RNA)
where:
Base-Base interactions energy: -436.445
where: short stacking energy: -195.957
Base-Backbone interact. energy: 0.479
local terms energy: -230.359063
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -57.464
flat angles C4'-P-C4' energy: -53.309
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -741.034431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.034431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.034431 (E_RNA)
where:
Base-Base interactions energy: -465.748
where: short stacking energy: -218.594
Base-Backbone interact. energy: -1.922
local terms energy: -273.364550
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -54.063
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -45.841
tors. eta vs tors. theta energy: -65.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -476.133365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.133365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.133365 (E_RNA)
where:
Base-Base interactions energy: -297.932
where: short stacking energy: -146.909
Base-Backbone interact. energy: -1.306
local terms energy: -176.896122
where:
bonds (distance) C4'-P energy: -52.188
bonds (distance) P-C4' energy: -41.229
flat angles C4'-P-C4' energy: -39.660
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1140.655623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.655623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.655623 (E_RNA)
where:
Base-Base interactions energy: -811.823
where: short stacking energy: -333.175
Base-Backbone interact. energy: -1.235
local terms energy: -327.597251
where:
bonds (distance) C4'-P energy: -62.639
bonds (distance) P-C4' energy: -64.432
flat angles C4'-P-C4' energy: -71.520
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -88.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1106.910631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.910631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.910631 (E_RNA)
where:
Base-Base interactions energy: -761.925
where: short stacking energy: -319.470
Base-Backbone interact. energy: 0.939
local terms energy: -345.924995
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -65.777
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -49.940
tors. eta vs tors. theta energy: -96.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1051.224259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.224259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.224259 (E_RNA)
where:
Base-Base interactions energy: -759.930
where: short stacking energy: -305.365
Base-Backbone interact. energy: 0.100
local terms energy: -291.394453
where:
bonds (distance) C4'-P energy: -55.682
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -61.897
flat angles P-C4'-P energy: -41.806
tors. eta vs tors. theta energy: -82.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -996.276204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.276204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.276204 (E_RNA)
where:
Base-Base interactions energy: -691.317
where: short stacking energy: -292.346
Base-Backbone interact. energy: -1.183
local terms energy: -303.776271
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -53.399
flat angles C4'-P-C4' energy: -63.966
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -78.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1001.704137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.704137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.704137 (E_RNA)
where:
Base-Base interactions energy: -699.176
where: short stacking energy: -304.482
Base-Backbone interact. energy: 1.499
local terms energy: -304.027231
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -51.178
flat angles C4'-P-C4' energy: -71.595
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -86.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -942.614440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.614440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.614440 (E_RNA)
where:
Base-Base interactions energy: -659.283
where: short stacking energy: -282.962
Base-Backbone interact. energy: -0.848
local terms energy: -282.483380
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -62.822
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: -82.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -843.568841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.568841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.568841 (E_RNA)
where:
Base-Base interactions energy: -580.378
where: short stacking energy: -239.305
Base-Backbone interact. energy: -1.756
local terms energy: -261.435075
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -42.477
tors. eta vs tors. theta energy: -62.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -699.718867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.718867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.718867 (E_RNA)
where:
Base-Base interactions energy: -458.417
where: short stacking energy: -199.960
Base-Backbone interact. energy: -0.412
local terms energy: -240.889389
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -59.660
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -39.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -708.253116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.253116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.253116 (E_RNA)
where:
Base-Base interactions energy: -465.491
where: short stacking energy: -208.176
Base-Backbone interact. energy: -1.416
local terms energy: -241.345566
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -54.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -489.772980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.772980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.772980 (E_RNA)
where:
Base-Base interactions energy: -305.674
where: short stacking energy: -150.951
Base-Backbone interact. energy: -0.603
local terms energy: -183.495956
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -45.805
flat angles C4'-P-C4' energy: -42.674
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1132.739035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.739035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.739035 (E_RNA)
where:
Base-Base interactions energy: -804.843
where: short stacking energy: -329.151
Base-Backbone interact. energy: -1.869
local terms energy: -326.026216
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -59.428
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -51.094
tors. eta vs tors. theta energy: -93.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1122.299210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.299210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.299210 (E_RNA)
where:
Base-Base interactions energy: -802.601
where: short stacking energy: -343.477
Base-Backbone interact. energy: -1.611
local terms energy: -318.087797
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -55.721
flat angles C4'-P-C4' energy: -64.525
flat angles P-C4'-P energy: -45.269
tors. eta vs tors. theta energy: -103.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1074.061445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.061445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.061445 (E_RNA)
where:
Base-Base interactions energy: -771.260
where: short stacking energy: -309.641
Base-Backbone interact. energy: 1.717
local terms energy: -304.518774
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -59.614
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -83.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1011.611287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.611287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.611287 (E_RNA)
where:
Base-Base interactions energy: -709.663
where: short stacking energy: -293.889
Base-Backbone interact. energy: -0.828
local terms energy: -301.120577
where:
bonds (distance) C4'-P energy: -61.592
bonds (distance) P-C4' energy: -54.696
flat angles C4'-P-C4' energy: -65.919
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -78.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -965.874460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.874460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.874460 (E_RNA)
where:
Base-Base interactions energy: -672.567
where: short stacking energy: -295.144
Base-Backbone interact. energy: -0.621
local terms energy: -292.686126
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -82.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -896.359123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.359123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.359123 (E_RNA)
where:
Base-Base interactions energy: -625.116
where: short stacking energy: -278.025
Base-Backbone interact. energy: -0.625
local terms energy: -270.618081
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -72.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -841.753593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.753593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.753593 (E_RNA)
where:
Base-Base interactions energy: -571.775
where: short stacking energy: -262.817
Base-Backbone interact. energy: -0.284
local terms energy: -269.694802
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -61.537
flat angles C4'-P-C4' energy: -59.726
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -69.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -706.524089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.524089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.524089 (E_RNA)
where:
Base-Base interactions energy: -453.626
where: short stacking energy: -209.735
Base-Backbone interact. energy: -0.871
local terms energy: -252.026589
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -58.216
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -35.052
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -663.301182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.301182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.301182 (E_RNA)
where:
Base-Base interactions energy: -437.157
where: short stacking energy: -198.620
Base-Backbone interact. energy: -0.154
local terms energy: -225.991060
where:
bonds (distance) C4'-P energy: -43.786
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -50.923
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -43.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -510.617554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.617554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.617554 (E_RNA)
where:
Base-Base interactions energy: -308.020
where: short stacking energy: -146.599
Base-Backbone interact. energy: 0.308
local terms energy: -202.905992
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -27.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1155.466474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.466474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.466474 (E_RNA)
where:
Base-Base interactions energy: -824.528
where: short stacking energy: -340.145
Base-Backbone interact. energy: -1.070
local terms energy: -329.869122
where:
bonds (distance) C4'-P energy: -64.266
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -96.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1119.776938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.776938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.776938 (E_RNA)
where:
Base-Base interactions energy: -788.341
where: short stacking energy: -339.092
Base-Backbone interact. energy: -2.196
local terms energy: -329.240530
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -63.341
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -97.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1068.055154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.055154 (E_RNA)
where:
Base-Base interactions energy: -756.372
where: short stacking energy: -329.323
Base-Backbone interact. energy: -2.196
local terms energy: -309.487740
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -91.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1003.812034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.812034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.812034 (E_RNA)
where:
Base-Base interactions energy: -701.080
where: short stacking energy: -296.469
Base-Backbone interact. energy: -1.186
local terms energy: -301.546561
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -67.085
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -79.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -965.544614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.544614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.544614 (E_RNA)
where:
Base-Base interactions energy: -670.231
where: short stacking energy: -301.483
Base-Backbone interact. energy: 0.842
local terms energy: -296.156560
where:
bonds (distance) C4'-P energy: -54.130
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -63.160
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -77.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -934.394310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.394310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.394310 (E_RNA)
where:
Base-Base interactions energy: -669.992
where: short stacking energy: -295.604
Base-Backbone interact. energy: 1.057
local terms energy: -265.459037
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -54.324
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -82.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -830.264774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.264774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.264774 (E_RNA)
where:
Base-Base interactions energy: -562.712
where: short stacking energy: -245.761
Base-Backbone interact. energy: -0.243
local terms energy: -267.309540
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -46.531
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -737.429026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.429026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.429026 (E_RNA)
where:
Base-Base interactions energy: -479.776
where: short stacking energy: -239.036
Base-Backbone interact. energy: -1.914
local terms energy: -255.738960
where:
bonds (distance) C4'-P energy: -57.257
bonds (distance) P-C4' energy: -59.103
flat angles C4'-P-C4' energy: -51.981
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -51.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -675.049204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.049204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.049204 (E_RNA)
where:
Base-Base interactions energy: -467.715
where: short stacking energy: -221.497
Base-Backbone interact. energy: 7.785
local terms energy: -215.119295
where:
bonds (distance) C4'-P energy: -46.608
bonds (distance) P-C4' energy: -43.013
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -44.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -487.413980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.413980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.413980 (E_RNA)
where:
Base-Base interactions energy: -296.510
where: short stacking energy: -130.361
Base-Backbone interact. energy: 1.078
local terms energy: -191.981950
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -56.334
flat angles C4'-P-C4' energy: -52.960
flat angles P-C4'-P energy: -34.695
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1133.883716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.883716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.883716 (E_RNA)
where:
Base-Base interactions energy: -808.524
where: short stacking energy: -345.723
Base-Backbone interact. energy: -0.934
local terms energy: -324.425653
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -71.609
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -97.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1118.280771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.280771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.280771 (E_RNA)
where:
Base-Base interactions energy: -814.920
where: short stacking energy: -338.268
Base-Backbone interact. energy: -0.851
local terms energy: -302.510447
where:
bonds (distance) C4'-P energy: -43.932
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -72.178
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -96.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1050.347566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.347566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.347566 (E_RNA)
where:
Base-Base interactions energy: -742.205
where: short stacking energy: -317.516
Base-Backbone interact. energy: -0.592
local terms energy: -307.550475
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -73.528
flat angles P-C4'-P energy: -43.624
tors. eta vs tors. theta energy: -91.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1048.018504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.018504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.018504 (E_RNA)
where:
Base-Base interactions energy: -731.003
where: short stacking energy: -324.018
Base-Backbone interact. energy: -0.812
local terms energy: -316.202645
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -63.913
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -90.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -975.425544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.425544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.425544 (E_RNA)
where:
Base-Base interactions energy: -679.713
where: short stacking energy: -289.129
Base-Backbone interact. energy: 0.015
local terms energy: -295.727961
where:
bonds (distance) C4'-P energy: -39.611
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -66.250
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -90.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -946.526182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.526182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.526182 (E_RNA)
where:
Base-Base interactions energy: -637.556
where: short stacking energy: -287.398
Base-Backbone interact. energy: -1.507
local terms energy: -307.462955
where:
bonds (distance) C4'-P energy: -55.254
bonds (distance) P-C4' energy: -60.881
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -83.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -852.876063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.876063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.876063 (E_RNA)
where:
Base-Base interactions energy: -599.366
where: short stacking energy: -253.637
Base-Backbone interact. energy: -0.738
local terms energy: -252.772051
where:
bonds (distance) C4'-P energy: -40.689
bonds (distance) P-C4' energy: -60.199
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -62.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -743.705736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.705736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.705736 (E_RNA)
where:
Base-Base interactions energy: -485.131
where: short stacking energy: -229.652
Base-Backbone interact. energy: -1.183
local terms energy: -257.391481
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -32.575
tors. eta vs tors. theta energy: -57.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -743.667074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.667074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.667074 (E_RNA)
where:
Base-Base interactions energy: -500.131
where: short stacking energy: -217.749
Base-Backbone interact. energy: 1.903
local terms energy: -245.438826
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -52.329
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -48.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -497.115269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.115269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.115269 (E_RNA)
where:
Base-Base interactions energy: -298.199
where: short stacking energy: -138.286
Base-Backbone interact. energy: -1.235
local terms energy: -197.681223
where:
bonds (distance) C4'-P energy: -60.104
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1140.207330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.207330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.207330 (E_RNA)
where:
Base-Base interactions energy: -808.502
where: short stacking energy: -350.577
Base-Backbone interact. energy: -0.945
local terms energy: -330.760510
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -59.605
flat angles C4'-P-C4' energy: -67.626
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -103.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1159.675736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.675736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.675736 (E_RNA)
where:
Base-Base interactions energy: -819.837
where: short stacking energy: -353.641
Base-Backbone interact. energy: -0.412
local terms energy: -339.426815
where:
bonds (distance) C4'-P energy: -66.516
bonds (distance) P-C4' energy: -59.467
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -101.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1067.343606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.343606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.343606 (E_RNA)
where:
Base-Base interactions energy: -740.647
where: short stacking energy: -311.220
Base-Backbone interact. energy: -1.890
local terms energy: -324.807052
where:
bonds (distance) C4'-P energy: -60.827
bonds (distance) P-C4' energy: -62.667
flat angles C4'-P-C4' energy: -67.258
flat angles P-C4'-P energy: -44.586
tors. eta vs tors. theta energy: -89.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1035.843922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.843922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.843922 (E_RNA)
where:
Base-Base interactions energy: -747.616
where: short stacking energy: -308.203
Base-Backbone interact. energy: -1.524
local terms energy: -286.703567
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -66.886
flat angles P-C4'-P energy: -41.237
tors. eta vs tors. theta energy: -81.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -983.032409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.032409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.032409 (E_RNA)
where:
Base-Base interactions energy: -680.946
where: short stacking energy: -288.892
Base-Backbone interact. energy: -1.032
local terms energy: -301.054370
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -62.333
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -84.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -923.072847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.072847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.072847 (E_RNA)
where:
Base-Base interactions energy: -624.785
where: short stacking energy: -282.696
Base-Backbone interact. energy: -0.708
local terms energy: -297.579645
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -59.543
flat angles C4'-P-C4' energy: -66.581
flat angles P-C4'-P energy: -32.984
tors. eta vs tors. theta energy: -82.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -786.369872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.369872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.369872 (E_RNA)
where:
Base-Base interactions energy: -511.900
where: short stacking energy: -227.017
Base-Backbone interact. energy: -0.256
local terms energy: -274.213641
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -60.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -806.342141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.342141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.342141 (E_RNA)
where:
Base-Base interactions energy: -570.673
where: short stacking energy: -234.449
Base-Backbone interact. energy: -4.151
local terms energy: -231.517924
where:
bonds (distance) C4'-P energy: -44.679
bonds (distance) P-C4' energy: -44.378
flat angles C4'-P-C4' energy: -54.167
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -55.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -698.736987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.736987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.736987 (E_RNA)
where:
Base-Base interactions energy: -460.919
where: short stacking energy: -212.405
Base-Backbone interact. energy: 1.987
local terms energy: -239.804742
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -505.108294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.108294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.108294 (E_RNA)
where:
Base-Base interactions energy: -302.262
where: short stacking energy: -140.512
Base-Backbone interact. energy: 0.509
local terms energy: -203.354975
where:
bonds (distance) C4'-P energy: -50.224
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1141.504500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.504500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.504500 (E_RNA)
where:
Base-Base interactions energy: -805.185
where: short stacking energy: -348.827
Base-Backbone interact. energy: -0.558
local terms energy: -335.761954
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -60.341
flat angles C4'-P-C4' energy: -66.882
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -99.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1145.067074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.067074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.067074 (E_RNA)
where:
Base-Base interactions energy: -812.176
where: short stacking energy: -334.903
Base-Backbone interact. energy: -2.791
local terms energy: -330.100851
where:
bonds (distance) C4'-P energy: -58.664
bonds (distance) P-C4' energy: -68.358
flat angles C4'-P-C4' energy: -67.797
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -95.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1057.547386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.547386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.547386 (E_RNA)
where:
Base-Base interactions energy: -734.251
where: short stacking energy: -305.230
Base-Backbone interact. energy: -1.225
local terms energy: -322.071816
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -71.406
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -84.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1052.552716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.552716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.552716 (E_RNA)
where:
Base-Base interactions energy: -734.149
where: short stacking energy: -292.739
Base-Backbone interact. energy: -0.568
local terms energy: -317.835144
where:
bonds (distance) C4'-P energy: -51.719
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -67.315
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -85.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -974.015494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.015494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.015494 (E_RNA)
where:
Base-Base interactions energy: -672.006
where: short stacking energy: -290.297
Base-Backbone interact. energy: 1.379
local terms energy: -303.388127
where:
bonds (distance) C4'-P energy: -61.050
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -64.883
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -81.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -908.893027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.893027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.893027 (E_RNA)
where:
Base-Base interactions energy: -624.012
where: short stacking energy: -273.251
Base-Backbone interact. energy: -0.409
local terms energy: -284.472442
where:
bonds (distance) C4'-P energy: -54.125
bonds (distance) P-C4' energy: -48.590
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -80.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -745.055584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.055584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.055584 (E_RNA)
where:
Base-Base interactions energy: -513.731
where: short stacking energy: -243.086
Base-Backbone interact. energy: -0.387
local terms energy: -230.936976
where:
bonds (distance) C4'-P energy: -43.730
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -51.583
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: -50.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -808.845697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.845697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.845697 (E_RNA)
where:
Base-Base interactions energy: -561.153
where: short stacking energy: -229.582
Base-Backbone interact. energy: -0.896
local terms energy: -246.796570
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -56.266
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -663.118924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.118924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.118924 (E_RNA)
where:
Base-Base interactions energy: -445.683
where: short stacking energy: -193.232
Base-Backbone interact. energy: -1.741
local terms energy: -215.694319
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -50.819
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -492.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.798836 (E_RNA)
where:
Base-Base interactions energy: -295.973
where: short stacking energy: -127.402
Base-Backbone interact. energy: -0.898
local terms energy: -195.927951
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -43.197
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1173.524892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.524892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.524892 (E_RNA)
where:
Base-Base interactions energy: -828.891
where: short stacking energy: -349.507
Base-Backbone interact. energy: 0.822
local terms energy: -345.455894
where:
bonds (distance) C4'-P energy: -65.890
bonds (distance) P-C4' energy: -64.530
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -101.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1120.032005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.032005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.032005 (E_RNA)
where:
Base-Base interactions energy: -781.088
where: short stacking energy: -328.534
Base-Backbone interact. energy: -1.913
local terms energy: -337.031523
where:
bonds (distance) C4'-P energy: -61.715
bonds (distance) P-C4' energy: -65.084
flat angles C4'-P-C4' energy: -70.455
flat angles P-C4'-P energy: -38.125
tors. eta vs tors. theta energy: -101.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1059.789446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.789446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.789446 (E_RNA)
where:
Base-Base interactions energy: -750.169
where: short stacking energy: -298.220
Base-Backbone interact. energy: -0.051
local terms energy: -309.568838
where:
bonds (distance) C4'-P energy: -53.146
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -85.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1043.140390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.140390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.140390 (E_RNA)
where:
Base-Base interactions energy: -736.671
where: short stacking energy: -308.436
Base-Backbone interact. energy: 0.216
local terms energy: -306.685565
where:
bonds (distance) C4'-P energy: -62.635
bonds (distance) P-C4' energy: -55.867
flat angles C4'-P-C4' energy: -67.876
flat angles P-C4'-P energy: -38.458
tors. eta vs tors. theta energy: -81.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -997.981158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.981158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.981158 (E_RNA)
where:
Base-Base interactions energy: -701.994
where: short stacking energy: -298.621
Base-Backbone interact. energy: -1.521
local terms energy: -294.466442
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -56.325
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -76.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -894.691733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.691733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.691733 (E_RNA)
where:
Base-Base interactions energy: -619.462
where: short stacking energy: -270.464
Base-Backbone interact. energy: -3.132
local terms energy: -272.097604
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -38.604
tors. eta vs tors. theta energy: -71.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -834.434937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.434937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.434937 (E_RNA)
where:
Base-Base interactions energy: -586.009
where: short stacking energy: -243.241
Base-Backbone interact. energy: -1.041
local terms energy: -247.384737
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -59.321
flat angles C4'-P-C4' energy: -54.307
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -55.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -662.684046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.684046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.684046 (E_RNA)
where:
Base-Base interactions energy: -435.747
where: short stacking energy: -204.913
Base-Backbone interact. energy: -0.872
local terms energy: -226.065425
where:
bonds (distance) C4'-P energy: -49.906
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -667.572859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.572859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.572859 (E_RNA)
where:
Base-Base interactions energy: -455.267
where: short stacking energy: -214.206
Base-Backbone interact. energy: -0.847
local terms energy: -211.457926
where:
bonds (distance) C4'-P energy: -48.445
bonds (distance) P-C4' energy: -49.084
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -55.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -476.889680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.889680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.889680 (E_RNA)
where:
Base-Base interactions energy: -283.371
where: short stacking energy: -131.508
Base-Backbone interact. energy: 0.449
local terms energy: -193.968256
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -57.744
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1172.225503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.225503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.225503 (E_RNA)
where:
Base-Base interactions energy: -837.005
where: short stacking energy: -338.561
Base-Backbone interact. energy: -1.413
local terms energy: -333.807905
where:
bonds (distance) C4'-P energy: -58.963
bonds (distance) P-C4' energy: -54.710
flat angles C4'-P-C4' energy: -74.546
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -98.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1118.075466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.075466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.075466 (E_RNA)
where:
Base-Base interactions energy: -804.228
where: short stacking energy: -343.862
Base-Backbone interact. energy: -0.814
local terms energy: -313.033647
where:
bonds (distance) C4'-P energy: -64.393
bonds (distance) P-C4' energy: -49.832
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -42.134
tors. eta vs tors. theta energy: -98.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1069.175198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.175198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.175198 (E_RNA)
where:
Base-Base interactions energy: -777.862
where: short stacking energy: -327.979
Base-Backbone interact. energy: -1.289
local terms energy: -290.024397
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -95.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1042.372452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.372452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.372452 (E_RNA)
where:
Base-Base interactions energy: -735.062
where: short stacking energy: -312.911
Base-Backbone interact. energy: -1.051
local terms energy: -306.259017
where:
bonds (distance) C4'-P energy: -62.569
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -31.463
tors. eta vs tors. theta energy: -86.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -969.969093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.969093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.969093 (E_RNA)
where:
Base-Base interactions energy: -662.930
where: short stacking energy: -276.647
Base-Backbone interact. energy: -1.435
local terms energy: -305.604031
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -61.549
flat angles C4'-P-C4' energy: -64.284
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -909.342546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.342546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.342546 (E_RNA)
where:
Base-Base interactions energy: -652.987
where: short stacking energy: -280.751
Base-Backbone interact. energy: 0.543
local terms energy: -256.899274
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -78.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -814.840175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.840175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.840175 (E_RNA)
where:
Base-Base interactions energy: -554.989
where: short stacking energy: -252.723
Base-Backbone interact. energy: 0.127
local terms energy: -259.977812
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -55.649
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -58.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -687.853144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.853144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.853144 (E_RNA)
where:
Base-Base interactions energy: -456.444
where: short stacking energy: -214.965
Base-Backbone interact. energy: 1.667
local terms energy: -233.076511
where:
bonds (distance) C4'-P energy: -49.713
bonds (distance) P-C4' energy: -46.298
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -57.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -692.937841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.937841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.937841 (E_RNA)
where:
Base-Base interactions energy: -448.883
where: short stacking energy: -200.380
Base-Backbone interact. energy: 0.805
local terms energy: -244.859515
where:
bonds (distance) C4'-P energy: -53.961
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -38.160
tors. eta vs tors. theta energy: -51.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -486.229324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.229324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.229324 (E_RNA)
where:
Base-Base interactions energy: -294.790
where: short stacking energy: -126.249
Base-Backbone interact. energy: -0.737
local terms energy: -190.702251
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -59.110
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1175.770718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.770718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.770718 (E_RNA)
where:
Base-Base interactions energy: -844.140
where: short stacking energy: -354.154
Base-Backbone interact. energy: -1.700
local terms energy: -329.930627
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -73.370
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -95.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1125.915711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.915711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.915711 (E_RNA)
where:
Base-Base interactions energy: -793.884
where: short stacking energy: -342.524
Base-Backbone interact. energy: -0.408
local terms energy: -331.623988
where:
bonds (distance) C4'-P energy: -56.821
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -101.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1058.755384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.755384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.755384 (E_RNA)
where:
Base-Base interactions energy: -757.676
where: short stacking energy: -314.011
Base-Backbone interact. energy: -1.520
local terms energy: -299.559898
where:
bonds (distance) C4'-P energy: -57.504
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -86.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1045.656406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.656406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.656406 (E_RNA)
where:
Base-Base interactions energy: -752.138
where: short stacking energy: -304.582
Base-Backbone interact. energy: 2.333
local terms energy: -295.851447
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: -89.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -983.215846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.215846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.215846 (E_RNA)
where:
Base-Base interactions energy: -696.698
where: short stacking energy: -290.916
Base-Backbone interact. energy: 0.276
local terms energy: -286.793592
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -66.091
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: -76.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -941.629957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.629957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.629957 (E_RNA)
where:
Base-Base interactions energy: -649.895
where: short stacking energy: -287.028
Base-Backbone interact. energy: -1.081
local terms energy: -290.653457
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -62.866
flat angles C4'-P-C4' energy: -65.528
flat angles P-C4'-P energy: -37.190
tors. eta vs tors. theta energy: -74.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -801.985300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.985300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.985300 (E_RNA)
where:
Base-Base interactions energy: -529.388
where: short stacking energy: -225.230
Base-Backbone interact. energy: -0.902
local terms energy: -271.696222
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -62.428
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -53.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -728.674175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.674175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.674175 (E_RNA)
where:
Base-Base interactions energy: -461.703
where: short stacking energy: -227.599
Base-Backbone interact. energy: 0.443
local terms energy: -267.414359
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -64.000
flat angles P-C4'-P energy: -46.085
tors. eta vs tors. theta energy: -56.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -702.614795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.614795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.614795 (E_RNA)
where:
Base-Base interactions energy: -473.584
where: short stacking energy: -198.339
Base-Backbone interact. energy: -0.674
local terms energy: -228.356991
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -53.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -457.244161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.244161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.244161 (E_RNA)
where:
Base-Base interactions energy: -271.983
where: short stacking energy: -133.598
Base-Backbone interact. energy: 0.351
local terms energy: -185.612564
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -46.352
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1171.150131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.150131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.150131 (E_RNA)
where:
Base-Base interactions energy: -841.187
where: short stacking energy: -349.834
Base-Backbone interact. energy: 3.195
local terms energy: -333.157814
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -71.495
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -93.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1115.665107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.665107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.665107 (E_RNA)
where:
Base-Base interactions energy: -778.454
where: short stacking energy: -320.048
Base-Backbone interact. energy: -2.300
local terms energy: -334.911200
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -98.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1047.688295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.688295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.688295 (E_RNA)
where:
Base-Base interactions energy: -731.071
where: short stacking energy: -305.083
Base-Backbone interact. energy: 0.730
local terms energy: -317.347612
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -70.036
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -85.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1037.394357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.394357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.394357 (E_RNA)
where:
Base-Base interactions energy: -731.928
where: short stacking energy: -302.269
Base-Backbone interact. energy: 1.142
local terms energy: -306.608331
where:
bonds (distance) C4'-P energy: -56.437
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -81.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -986.940714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.940714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.940714 (E_RNA)
where:
Base-Base interactions energy: -672.967
where: short stacking energy: -265.325
Base-Backbone interact. energy: -1.122
local terms energy: -312.851646
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -67.039
flat angles P-C4'-P energy: -37.912
tors. eta vs tors. theta energy: -88.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -914.949850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.949850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.949850 (E_RNA)
where:
Base-Base interactions energy: -621.420
where: short stacking energy: -280.004
Base-Backbone interact. energy: -1.350
local terms energy: -292.179807
where:
bonds (distance) C4'-P energy: -48.621
bonds (distance) P-C4' energy: -62.345
flat angles C4'-P-C4' energy: -65.681
flat angles P-C4'-P energy: -34.445
tors. eta vs tors. theta energy: -81.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -768.473488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.473488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.473488 (E_RNA)
where:
Base-Base interactions energy: -537.496
where: short stacking energy: -241.125
Base-Backbone interact. energy: -2.162
local terms energy: -228.816085
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -44.452
flat angles C4'-P-C4' energy: -56.787
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -58.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -711.126951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.126951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.126951 (E_RNA)
where:
Base-Base interactions energy: -484.429
where: short stacking energy: -223.016
Base-Backbone interact. energy: -2.016
local terms energy: -224.682494
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -57.567
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -44.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -689.894297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.894297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.894297 (E_RNA)
where:
Base-Base interactions energy: -456.548
where: short stacking energy: -213.159
Base-Backbone interact. energy: -0.633
local terms energy: -232.713199
where:
bonds (distance) C4'-P energy: -45.995
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -33.085
tors. eta vs tors. theta energy: -56.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -523.365422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.365422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.365422 (E_RNA)
where:
Base-Base interactions energy: -323.280
where: short stacking energy: -169.651
Base-Backbone interact. energy: -1.112
local terms energy: -198.974242
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -48.775
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1157.641820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.641820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.641820 (E_RNA)
where:
Base-Base interactions energy: -809.268
where: short stacking energy: -358.655
Base-Backbone interact. energy: -1.264
local terms energy: -347.109634
where:
bonds (distance) C4'-P energy: -63.874
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -77.632
flat angles P-C4'-P energy: -48.783
tors. eta vs tors. theta energy: -97.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1151.186239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.186239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.186239 (E_RNA)
where:
Base-Base interactions energy: -836.316
where: short stacking energy: -356.929
Base-Backbone interact. energy: -1.364
local terms energy: -313.507023
where:
bonds (distance) C4'-P energy: -57.089
bonds (distance) P-C4' energy: -59.537
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -96.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1049.740161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.740161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.740161 (E_RNA)
where:
Base-Base interactions energy: -749.953
where: short stacking energy: -310.257
Base-Backbone interact. energy: -0.806
local terms energy: -298.981085
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -61.614
flat angles C4'-P-C4' energy: -62.934
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -85.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1024.358083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.358083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.358083 (E_RNA)
where:
Base-Base interactions energy: -705.335
where: short stacking energy: -308.120
Base-Backbone interact. energy: -0.404
local terms energy: -318.619396
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -56.977
flat angles C4'-P-C4' energy: -68.455
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -95.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -969.711312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.711312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.711312 (E_RNA)
where:
Base-Base interactions energy: -676.572
where: short stacking energy: -289.262
Base-Backbone interact. energy: 0.222
local terms energy: -293.361372
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -65.466
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -73.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -934.358327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.358327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.358327 (E_RNA)
where:
Base-Base interactions energy: -645.353
where: short stacking energy: -287.260
Base-Backbone interact. energy: -1.306
local terms energy: -287.698925
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -61.155
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -82.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -743.716122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.716122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.716122 (E_RNA)
where:
Base-Base interactions energy: -492.447
where: short stacking energy: -224.405
Base-Backbone interact. energy: -0.828
local terms energy: -250.440459
where:
bonds (distance) C4'-P energy: -38.924
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -42.667
tors. eta vs tors. theta energy: -49.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -750.628258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.628258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.628258 (E_RNA)
where:
Base-Base interactions energy: -524.831
where: short stacking energy: -211.279
Base-Backbone interact. energy: 0.218
local terms energy: -226.015697
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -50.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -662.795030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.795030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.795030 (E_RNA)
where:
Base-Base interactions energy: -434.873
where: short stacking energy: -185.404
Base-Backbone interact. energy: -0.845
local terms energy: -227.077335
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -34.717
tors. eta vs tors. theta energy: -41.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -502.275376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.275376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.275376 (E_RNA)
where:
Base-Base interactions energy: -321.574
where: short stacking energy: -150.389
Base-Backbone interact. energy: 0.181
local terms energy: -180.882469
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1155.913210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.913210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.913210 (E_RNA)
where:
Base-Base interactions energy: -821.179
where: short stacking energy: -355.899
Base-Backbone interact. energy: -0.864
local terms energy: -333.869613
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -105.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1151.826982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.826982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.826982 (E_RNA)
where:
Base-Base interactions energy: -824.886
where: short stacking energy: -342.998
Base-Backbone interact. energy: -0.498
local terms energy: -326.442437
where:
bonds (distance) C4'-P energy: -55.591
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -69.749
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -97.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1072.456351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.456351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.456351 (E_RNA)
where:
Base-Base interactions energy: -753.964
where: short stacking energy: -324.910
Base-Backbone interact. energy: -0.812
local terms energy: -317.680160
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -68.035
flat angles P-C4'-P energy: -42.858
tors. eta vs tors. theta energy: -96.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1012.940334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.940334 (E_RNA)
where:
Base-Base interactions energy: -701.036
where: short stacking energy: -303.298
Base-Backbone interact. energy: 1.592
local terms energy: -313.496586
where:
bonds (distance) C4'-P energy: -59.082
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -85.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -971.725868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.725868 (E_RNA)
where:
Base-Base interactions energy: -685.638
where: short stacking energy: -289.844
Base-Backbone interact. energy: -0.704
local terms energy: -285.383799
where:
bonds (distance) C4'-P energy: -47.787
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -33.515
tors. eta vs tors. theta energy: -85.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -925.556171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.556171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.556171 (E_RNA)
where:
Base-Base interactions energy: -645.337
where: short stacking energy: -286.640
Base-Backbone interact. energy: -0.335
local terms energy: -279.884285
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -57.951
flat angles P-C4'-P energy: -42.107
tors. eta vs tors. theta energy: -84.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -764.063201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.063201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.063201 (E_RNA)
where:
Base-Base interactions energy: -525.443
where: short stacking energy: -231.954
Base-Backbone interact. energy: 1.050
local terms energy: -239.670261
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -60.480
flat angles C4'-P-C4' energy: -58.371
flat angles P-C4'-P energy: -39.543
tors. eta vs tors. theta energy: -46.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -753.216002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.216002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.216002 (E_RNA)
where:
Base-Base interactions energy: -494.605
where: short stacking energy: -210.610
Base-Backbone interact. energy: -2.458
local terms energy: -256.152407
where:
bonds (distance) C4'-P energy: -44.701
bonds (distance) P-C4' energy: -59.225
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -54.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -682.949553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.949553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.949553 (E_RNA)
where:
Base-Base interactions energy: -443.552
where: short stacking energy: -205.873
Base-Backbone interact. energy: -1.312
local terms energy: -238.085787
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -47.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -529.433359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.433359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.433359 (E_RNA)
where:
Base-Base interactions energy: -344.949
where: short stacking energy: -164.491
Base-Backbone interact. energy: 0.006
local terms energy: -184.490132
where:
bonds (distance) C4'-P energy: -32.183
bonds (distance) P-C4' energy: -52.541
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1174.604291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.604291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.604291 (E_RNA)
where:
Base-Base interactions energy: -842.626
where: short stacking energy: -349.039
Base-Backbone interact. energy: -1.408
local terms energy: -330.570679
where:
bonds (distance) C4'-P energy: -55.791
bonds (distance) P-C4' energy: -61.682
flat angles C4'-P-C4' energy: -72.239
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -100.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1119.278424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.278424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.278424 (E_RNA)
where:
Base-Base interactions energy: -790.204
where: short stacking energy: -331.120
Base-Backbone interact. energy: -1.686
local terms energy: -327.389009
where:
bonds (distance) C4'-P energy: -61.145
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -61.797
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -102.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1061.868349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.868349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.868349 (E_RNA)
where:
Base-Base interactions energy: -747.430
where: short stacking energy: -304.548
Base-Backbone interact. energy: -2.426
local terms energy: -312.012084
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -57.552
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -77.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1033.283804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.283804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.283804 (E_RNA)
where:
Base-Base interactions energy: -718.587
where: short stacking energy: -292.361
Base-Backbone interact. energy: -1.366
local terms energy: -313.330951
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -66.439
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -84.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -942.073674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.073674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.073674 (E_RNA)
where:
Base-Base interactions energy: -652.705
where: short stacking energy: -276.026
Base-Backbone interact. energy: -1.110
local terms energy: -288.259040
where:
bonds (distance) C4'-P energy: -57.155
bonds (distance) P-C4' energy: -55.443
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -32.991
tors. eta vs tors. theta energy: -80.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -943.681252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.681252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.681252 (E_RNA)
where:
Base-Base interactions energy: -669.315
where: short stacking energy: -291.168
Base-Backbone interact. energy: 1.854
local terms energy: -276.220010
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -41.464
tors. eta vs tors. theta energy: -78.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -753.735208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.735208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.735208 (E_RNA)
where:
Base-Base interactions energy: -522.690
where: short stacking energy: -226.803
Base-Backbone interact. energy: 8.218
local terms energy: -239.263014
where:
bonds (distance) C4'-P energy: -54.629
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -47.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -787.154595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.154595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.154595 (E_RNA)
where:
Base-Base interactions energy: -526.454
where: short stacking energy: -223.965
Base-Backbone interact. energy: 1.727
local terms energy: -262.427021
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -57.616
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -55.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -685.120163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.120163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.120163 (E_RNA)
where:
Base-Base interactions energy: -447.230
where: short stacking energy: -206.453
Base-Backbone interact. energy: -0.891
local terms energy: -236.999409
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -539.990450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.990450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.990450 (E_RNA)
where:
Base-Base interactions energy: -321.160
where: short stacking energy: -147.814
Base-Backbone interact. energy: 1.596
local terms energy: -220.426826
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -54.090
flat angles C4'-P-C4' energy: -51.480
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1172.637880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.637880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.637880 (E_RNA)
where:
Base-Base interactions energy: -833.257
where: short stacking energy: -342.484
Base-Backbone interact. energy: -2.725
local terms energy: -336.655354
where:
bonds (distance) C4'-P energy: -70.000
bonds (distance) P-C4' energy: -56.519
flat angles C4'-P-C4' energy: -64.479
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -95.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1122.107451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.107451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.107451 (E_RNA)
where:
Base-Base interactions energy: -782.205
where: short stacking energy: -330.879
Base-Backbone interact. energy: 0.918
local terms energy: -340.820801
where:
bonds (distance) C4'-P energy: -60.564
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -71.008
flat angles P-C4'-P energy: -43.247
tors. eta vs tors. theta energy: -102.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1069.331445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.331445 (E_RNA)
where:
Base-Base interactions energy: -762.684
where: short stacking energy: -299.894
Base-Backbone interact. energy: -1.418
local terms energy: -305.230076
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -70.666
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -79.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1003.434692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.434692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.434692 (E_RNA)
where:
Base-Base interactions energy: -700.038
where: short stacking energy: -304.912
Base-Backbone interact. energy: -2.080
local terms energy: -301.316289
where:
bonds (distance) C4'-P energy: -52.927
bonds (distance) P-C4' energy: -63.036
flat angles C4'-P-C4' energy: -67.616
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: -80.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -946.632095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.632095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.632095 (E_RNA)
where:
Base-Base interactions energy: -657.810
where: short stacking energy: -283.892
Base-Backbone interact. energy: -2.328
local terms energy: -286.494793
where:
bonds (distance) C4'-P energy: -50.135
bonds (distance) P-C4' energy: -60.564
flat angles C4'-P-C4' energy: -59.748
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -80.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -972.009243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.009243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.009243 (E_RNA)
where:
Base-Base interactions energy: -668.044
where: short stacking energy: -304.283
Base-Backbone interact. energy: 1.839
local terms energy: -305.804886
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -63.769
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -91.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -768.990996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.990996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.990996 (E_RNA)
where:
Base-Base interactions energy: -523.149
where: short stacking energy: -237.486
Base-Backbone interact. energy: 0.104
local terms energy: -245.946054
where:
bonds (distance) C4'-P energy: -44.920
bonds (distance) P-C4' energy: -59.907
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -37.827
tors. eta vs tors. theta energy: -47.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -779.871392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.871392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.871392 (E_RNA)
where:
Base-Base interactions energy: -545.952
where: short stacking energy: -226.654
Base-Backbone interact. energy: -1.305
local terms energy: -232.614729
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -52.403
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -61.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -682.058470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.058470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.058470 (E_RNA)
where:
Base-Base interactions energy: -452.365
where: short stacking energy: -202.523
Base-Backbone interact. energy: -0.181
local terms energy: -229.512156
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -51.337
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -55.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -527.433449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.433449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.433449 (E_RNA)
where:
Base-Base interactions energy: -335.009
where: short stacking energy: -139.207
Base-Backbone interact. energy: -0.779
local terms energy: -191.645099
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -41.547
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1152.581392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.581392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.581392 (E_RNA)
where:
Base-Base interactions energy: -796.774
where: short stacking energy: -337.515
Base-Backbone interact. energy: -0.874
local terms energy: -354.932739
where:
bonds (distance) C4'-P energy: -63.248
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -74.819
flat angles P-C4'-P energy: -47.008
tors. eta vs tors. theta energy: -100.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1114.287252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.287252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.287252 (E_RNA)
where:
Base-Base interactions energy: -806.402
where: short stacking energy: -327.950
Base-Backbone interact. energy: -2.101
local terms energy: -305.784772
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -64.078
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -89.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1076.544347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.544347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.544347 (E_RNA)
where:
Base-Base interactions energy: -762.687
where: short stacking energy: -317.466
Base-Backbone interact. energy: -1.835
local terms energy: -312.022103
where:
bonds (distance) C4'-P energy: -61.909
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -44.432
tors. eta vs tors. theta energy: -82.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1011.300959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.300959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.300959 (E_RNA)
where:
Base-Base interactions energy: -694.845
where: short stacking energy: -309.731
Base-Backbone interact. energy: 1.634
local terms energy: -318.090010
where:
bonds (distance) C4'-P energy: -57.576
bonds (distance) P-C4' energy: -66.554
flat angles C4'-P-C4' energy: -60.877
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -83.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -996.081124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.081124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.081124 (E_RNA)
where:
Base-Base interactions energy: -675.184
where: short stacking energy: -282.816
Base-Backbone interact. energy: -1.856
local terms energy: -319.041556
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -66.624
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -80.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -932.813825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.813825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.813825 (E_RNA)
where:
Base-Base interactions energy: -643.750
where: short stacking energy: -278.621
Base-Backbone interact. energy: -1.249
local terms energy: -287.814601
where:
bonds (distance) C4'-P energy: -48.371
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -65.505
flat angles P-C4'-P energy: -40.545
tors. eta vs tors. theta energy: -78.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -802.121091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.121091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.121091 (E_RNA)
where:
Base-Base interactions energy: -531.631
where: short stacking energy: -225.046
Base-Backbone interact. energy: -2.828
local terms energy: -267.661869
where:
bonds (distance) C4'-P energy: -36.055
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -763.601967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.601967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.601967 (E_RNA)
where:
Base-Base interactions energy: -500.554
where: short stacking energy: -208.134
Base-Backbone interact. energy: -1.702
local terms energy: -261.346120
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -56.566
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -51.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -663.616089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.616089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.616089 (E_RNA)
where:
Base-Base interactions energy: -443.464
where: short stacking energy: -192.960
Base-Backbone interact. energy: -1.945
local terms energy: -218.207205
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -44.284
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -45.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -534.877815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.877815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.877815 (E_RNA)
where:
Base-Base interactions energy: -330.428
where: short stacking energy: -158.754
Base-Backbone interact. energy: 1.062
local terms energy: -205.512464
where:
bonds (distance) C4'-P energy: -58.922
bonds (distance) P-C4' energy: -54.238
flat angles C4'-P-C4' energy: -52.539
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1135.753431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.753431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.753431 (E_RNA)
where:
Base-Base interactions energy: -804.709
where: short stacking energy: -330.406
Base-Backbone interact. energy: -1.598
local terms energy: -329.445491
where:
bonds (distance) C4'-P energy: -59.331
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -103.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1132.957982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.957982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.957982 (E_RNA)
where:
Base-Base interactions energy: -795.059
where: short stacking energy: -329.621
Base-Backbone interact. energy: -0.450
local terms energy: -337.448418
where:
bonds (distance) C4'-P energy: -63.045
bonds (distance) P-C4' energy: -59.462
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -94.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1050.175706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.175706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.175706 (E_RNA)
where:
Base-Base interactions energy: -748.842
where: short stacking energy: -309.034
Base-Backbone interact. energy: -1.481
local terms energy: -299.852885
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -58.925
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1019.479087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.479087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.479087 (E_RNA)
where:
Base-Base interactions energy: -707.974
where: short stacking energy: -293.350
Base-Backbone interact. energy: -2.097
local terms energy: -309.408139
where:
bonds (distance) C4'-P energy: -52.917
bonds (distance) P-C4' energy: -60.140
flat angles C4'-P-C4' energy: -64.430
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -87.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -995.326370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.326370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.326370 (E_RNA)
where:
Base-Base interactions energy: -687.198
where: short stacking energy: -300.258
Base-Backbone interact. energy: -2.151
local terms energy: -305.977624
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -89.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -943.851630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.851630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.851630 (E_RNA)
where:
Base-Base interactions energy: -667.263
where: short stacking energy: -294.562
Base-Backbone interact. energy: 6.500
local terms energy: -283.088735
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -58.819
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -79.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -805.691073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.691073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.691073 (E_RNA)
where:
Base-Base interactions energy: -539.532
where: short stacking energy: -233.811
Base-Backbone interact. energy: -1.280
local terms energy: -264.878930
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -57.147
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -58.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -715.172308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.172308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.172308 (E_RNA)
where:
Base-Base interactions energy: -490.021
where: short stacking energy: -200.275
Base-Backbone interact. energy: 0.206
local terms energy: -225.357891
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -58.973
flat angles C4'-P-C4' energy: -64.125
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -36.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -641.578872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.578872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.578872 (E_RNA)
where:
Base-Base interactions energy: -433.828
where: short stacking energy: -199.274
Base-Backbone interact. energy: -0.732
local terms energy: -207.018889
where:
bonds (distance) C4'-P energy: -43.793
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -33.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -504.725691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.725691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.725691 (E_RNA)
where:
Base-Base interactions energy: -325.099
where: short stacking energy: -135.919
Base-Backbone interact. energy: 1.257
local terms energy: -180.883362
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -44.436
flat angles C4'-P-C4' energy: -46.148
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1154.811185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.811185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.811185 (E_RNA)
where:
Base-Base interactions energy: -816.401
where: short stacking energy: -334.239
Base-Backbone interact. energy: -1.254
local terms energy: -337.155752
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -62.774
flat angles C4'-P-C4' energy: -70.442
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -100.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1130.524068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.524068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.524068 (E_RNA)
where:
Base-Base interactions energy: -810.929
where: short stacking energy: -345.279
Base-Backbone interact. energy: -1.075
local terms energy: -318.519686
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -56.946
flat angles C4'-P-C4' energy: -61.636
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -94.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1062.410475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.410475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.410475 (E_RNA)
where:
Base-Base interactions energy: -742.453
where: short stacking energy: -314.959
Base-Backbone interact. energy: 0.956
local terms energy: -320.913469
where:
bonds (distance) C4'-P energy: -56.359
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -66.747
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: -87.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -987.655079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.655079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.655079 (E_RNA)
where:
Base-Base interactions energy: -680.229
where: short stacking energy: -281.530
Base-Backbone interact. energy: 0.161
local terms energy: -307.586706
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -61.064
flat angles P-C4'-P energy: -47.018
tors. eta vs tors. theta energy: -84.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1000.268650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.268650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.268650 (E_RNA)
where:
Base-Base interactions energy: -696.841
where: short stacking energy: -300.839
Base-Backbone interact. energy: -1.188
local terms energy: -302.239921
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -64.609
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -91.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -953.780123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.780123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.780123 (E_RNA)
where:
Base-Base interactions energy: -659.386
where: short stacking energy: -302.157
Base-Backbone interact. energy: -0.918
local terms energy: -293.475596
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -30.560
tors. eta vs tors. theta energy: -86.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -842.406504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.406504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.406504 (E_RNA)
where:
Base-Base interactions energy: -570.120
where: short stacking energy: -231.401
Base-Backbone interact. energy: -0.444
local terms energy: -271.842316
where:
bonds (distance) C4'-P energy: -56.871
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -65.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -710.842503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.842503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.842503 (E_RNA)
where:
Base-Base interactions energy: -482.906
where: short stacking energy: -218.789
Base-Backbone interact. energy: 1.427
local terms energy: -229.363608
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -554.644729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.644729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.644729 (E_RNA)
where:
Base-Base interactions energy: -354.835
where: short stacking energy: -156.995
Base-Backbone interact. energy: 0.236
local terms energy: -200.046484
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -59.524
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -578.120322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.120322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.120322 (E_RNA)
where:
Base-Base interactions energy: -371.439
where: short stacking energy: -170.712
Base-Backbone interact. energy: -0.068
local terms energy: -206.614093
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1152.293604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.293604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.293604 (E_RNA)
where:
Base-Base interactions energy: -832.383
where: short stacking energy: -343.523
Base-Backbone interact. energy: -1.863
local terms energy: -318.047332
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -69.648
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -102.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1159.060134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.060134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.060134 (E_RNA)
where:
Base-Base interactions energy: -809.808
where: short stacking energy: -360.158
Base-Backbone interact. energy: -2.253
local terms energy: -346.999195
where:
bonds (distance) C4'-P energy: -59.951
bonds (distance) P-C4' energy: -68.719
flat angles C4'-P-C4' energy: -75.387
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -97.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1067.871761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.871761 (E_RNA)
where:
Base-Base interactions energy: -770.451
where: short stacking energy: -316.841
Base-Backbone interact. energy: -0.756
local terms energy: -296.665031
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -68.209
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: -84.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -995.086102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.086102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.086102 (E_RNA)
where:
Base-Base interactions energy: -678.672
where: short stacking energy: -293.890
Base-Backbone interact. energy: -0.573
local terms energy: -315.841124
where:
bonds (distance) C4'-P energy: -56.176
bonds (distance) P-C4' energy: -69.584
flat angles C4'-P-C4' energy: -69.894
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -88.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -997.295808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.295808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.295808 (E_RNA)
where:
Base-Base interactions energy: -702.572
where: short stacking energy: -306.974
Base-Backbone interact. energy: -0.211
local terms energy: -294.512912
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -45.946
tors. eta vs tors. theta energy: -88.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -943.338718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.338718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.338718 (E_RNA)
where:
Base-Base interactions energy: -678.628
where: short stacking energy: -277.248
Base-Backbone interact. energy: -0.430
local terms energy: -264.280999
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -75.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -816.476554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.476554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.476554 (E_RNA)
where:
Base-Base interactions energy: -558.161
where: short stacking energy: -245.012
Base-Backbone interact. energy: -1.711
local terms energy: -256.604222
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -41.967
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -70.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -582.145394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.145394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.145394 (E_RNA)
where:
Base-Base interactions energy: -356.523
where: short stacking energy: -180.615
Base-Backbone interact. energy: -0.793
local terms energy: -224.830043
where:
bonds (distance) C4'-P energy: -50.719
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -37.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -710.082871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.082871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.082871 (E_RNA)
where:
Base-Base interactions energy: -462.602
where: short stacking energy: -216.625
Base-Backbone interact. energy: -0.495
local terms energy: -246.985609
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -30.072
tors. eta vs tors. theta energy: -59.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -626.871848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.871848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.871848 (E_RNA)
where:
Base-Base interactions energy: -396.255
where: short stacking energy: -172.600
Base-Backbone interact. energy: -1.861
local terms energy: -228.755249
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -55.789
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -36.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1175.755602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.755602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.755602 (E_RNA)
where:
Base-Base interactions energy: -842.920
where: short stacking energy: -354.644
Base-Backbone interact. energy: -1.305
local terms energy: -331.530461
where:
bonds (distance) C4'-P energy: -63.544
bonds (distance) P-C4' energy: -56.975
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -97.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1133.867633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.867633 (E_RNA)
where:
Base-Base interactions energy: -794.062
where: short stacking energy: -338.390
Base-Backbone interact. energy: -1.047
local terms energy: -338.758554
where:
bonds (distance) C4'-P energy: -62.182
bonds (distance) P-C4' energy: -58.530
flat angles C4'-P-C4' energy: -71.838
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -104.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1075.693263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.693263 (E_RNA)
where:
Base-Base interactions energy: -754.056
where: short stacking energy: -291.748
Base-Backbone interact. energy: 1.569
local terms energy: -323.206199
where:
bonds (distance) C4'-P energy: -57.594
bonds (distance) P-C4' energy: -66.977
flat angles C4'-P-C4' energy: -71.402
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -88.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -984.212518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.212518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.212518 (E_RNA)
where:
Base-Base interactions energy: -679.748
where: short stacking energy: -308.220
Base-Backbone interact. energy: -0.641
local terms energy: -303.823869
where:
bonds (distance) C4'-P energy: -60.619
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -81.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -987.849129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.849129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.849129 (E_RNA)
where:
Base-Base interactions energy: -692.736
where: short stacking energy: -306.548
Base-Backbone interact. energy: -0.031
local terms energy: -295.081629
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -81.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -933.331737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.331737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.331737 (E_RNA)
where:
Base-Base interactions energy: -662.235
where: short stacking energy: -285.582
Base-Backbone interact. energy: -1.021
local terms energy: -270.075751
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -81.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -843.915201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.915201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.915201 (E_RNA)
where:
Base-Base interactions energy: -590.071
where: short stacking energy: -248.796
Base-Backbone interact. energy: -0.801
local terms energy: -253.043221
where:
bonds (distance) C4'-P energy: -56.435
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -52.324
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -61.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -580.865443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.865443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.865443 (E_RNA)
where:
Base-Base interactions energy: -363.185
where: short stacking energy: -173.636
Base-Backbone interact. energy: -0.734
local terms energy: -216.946760
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -54.157
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -33.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -692.810635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.810635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.810635 (E_RNA)
where:
Base-Base interactions energy: -467.771
where: short stacking energy: -223.456
Base-Backbone interact. energy: -0.838
local terms energy: -224.200894
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -52.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -571.667444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.667444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.667444 (E_RNA)
where:
Base-Base interactions energy: -369.759
where: short stacking energy: -170.445
Base-Backbone interact. energy: 0.701
local terms energy: -202.609724
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -29.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1161.784395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.784395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.784395 (E_RNA)
where:
Base-Base interactions energy: -847.283
where: short stacking energy: -354.086
Base-Backbone interact. energy: -1.131
local terms energy: -313.370545
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -58.469
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -45.480
tors. eta vs tors. theta energy: -93.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1125.304704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.304704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.304704 (E_RNA)
where:
Base-Base interactions energy: -798.707
where: short stacking energy: -331.055
Base-Backbone interact. energy: -0.733
local terms energy: -325.864865
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -63.037
flat angles C4'-P-C4' energy: -68.318
flat angles P-C4'-P energy: -46.753
tors. eta vs tors. theta energy: -101.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1055.195412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.195412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.195412 (E_RNA)
where:
Base-Base interactions energy: -758.103
where: short stacking energy: -320.625
Base-Backbone interact. energy: -1.175
local terms energy: -295.916865
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -61.198
flat angles C4'-P-C4' energy: -57.885
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -80.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1009.037595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.037595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.037595 (E_RNA)
where:
Base-Base interactions energy: -698.362
where: short stacking energy: -295.910
Base-Backbone interact. energy: -0.740
local terms energy: -309.935695
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -83.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -985.514600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.514600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.514600 (E_RNA)
where:
Base-Base interactions energy: -697.093
where: short stacking energy: -277.431
Base-Backbone interact. energy: -1.362
local terms energy: -287.059316
where:
bonds (distance) C4'-P energy: -51.375
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -56.346
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -79.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -957.944308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.944308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.944308 (E_RNA)
where:
Base-Base interactions energy: -653.481
where: short stacking energy: -302.235
Base-Backbone interact. energy: -1.428
local terms energy: -303.035740
where:
bonds (distance) C4'-P energy: -55.526
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -66.796
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: -87.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -812.510146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.510146 (E_RNA)
where:
Base-Base interactions energy: -544.304
where: short stacking energy: -235.961
Base-Backbone interact. energy: -0.094
local terms energy: -268.112079
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -55.044
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -38.974
tors. eta vs tors. theta energy: -57.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -780.019939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.019939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.019939 (E_RNA)
where:
Base-Base interactions energy: -512.913
where: short stacking energy: -229.962
Base-Backbone interact. energy: -0.435
local terms energy: -266.671469
where:
bonds (distance) C4'-P energy: -60.776
bonds (distance) P-C4' energy: -53.477
flat angles C4'-P-C4' energy: -51.260
flat angles P-C4'-P energy: -43.184
tors. eta vs tors. theta energy: -57.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -545.642469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.642469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.642469 (E_RNA)
where:
Base-Base interactions energy: -343.960
where: short stacking energy: -169.222
Base-Backbone interact. energy: -1.454
local terms energy: -200.228430
where:
bonds (distance) C4'-P energy: -42.880
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -52.858
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -584.768807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.768807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.768807 (E_RNA)
where:
Base-Base interactions energy: -370.558
where: short stacking energy: -160.811
Base-Backbone interact. energy: 1.632
local terms energy: -215.842709
where:
bonds (distance) C4'-P energy: -56.571
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -48.452
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -30.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1167.440731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.440731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.440731 (E_RNA)
where:
Base-Base interactions energy: -819.162
where: short stacking energy: -341.783
Base-Backbone interact. energy: -1.381
local terms energy: -346.898368
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -64.098
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -95.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1132.570980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.570980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.570980 (E_RNA)
where:
Base-Base interactions energy: -815.931
where: short stacking energy: -338.250
Base-Backbone interact. energy: -0.368
local terms energy: -316.272733
where:
bonds (distance) C4'-P energy: -50.168
bonds (distance) P-C4' energy: -54.552
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -105.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1056.716974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.716974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.716974 (E_RNA)
where:
Base-Base interactions energy: -737.289
where: short stacking energy: -301.366
Base-Backbone interact. energy: -3.315
local terms energy: -316.112992
where:
bonds (distance) C4'-P energy: -58.708
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -88.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1001.083270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.083270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.083270 (E_RNA)
where:
Base-Base interactions energy: -684.119
where: short stacking energy: -301.034
Base-Backbone interact. energy: -2.086
local terms energy: -314.878203
where:
bonds (distance) C4'-P energy: -60.342
bonds (distance) P-C4' energy: -54.061
flat angles C4'-P-C4' energy: -70.665
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -90.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -966.451627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.451627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.451627 (E_RNA)
where:
Base-Base interactions energy: -681.784
where: short stacking energy: -274.859
Base-Backbone interact. energy: -0.404
local terms energy: -284.263294
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -57.576
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -43.557
tors. eta vs tors. theta energy: -83.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -926.210368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.210368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.210368 (E_RNA)
where:
Base-Base interactions energy: -635.669
where: short stacking energy: -281.769
Base-Backbone interact. energy: -0.963
local terms energy: -289.578544
where:
bonds (distance) C4'-P energy: -40.268
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -59.801
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -81.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -860.531708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.531708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.531708 (E_RNA)
where:
Base-Base interactions energy: -597.950
where: short stacking energy: -269.855
Base-Backbone interact. energy: 6.682
local terms energy: -269.263169
where:
bonds (distance) C4'-P energy: -55.150
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -71.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -764.714181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.714181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.714181 (E_RNA)
where:
Base-Base interactions energy: -528.258
where: short stacking energy: -222.175
Base-Backbone interact. energy: -1.425
local terms energy: -235.030847
where:
bonds (distance) C4'-P energy: -48.359
bonds (distance) P-C4' energy: -47.940
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: -51.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -638.965706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.965706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.965706 (E_RNA)
where:
Base-Base interactions energy: -430.314
where: short stacking energy: -185.138
Base-Backbone interact. energy: 0.743
local terms energy: -209.395253
where:
bonds (distance) C4'-P energy: -49.338
bonds (distance) P-C4' energy: -51.712
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -533.769997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.769997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.769997 (E_RNA)
where:
Base-Base interactions energy: -332.442
where: short stacking energy: -154.523
Base-Backbone interact. energy: 2.882
local terms energy: -204.209736
where:
bonds (distance) C4'-P energy: -54.625
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -39.924
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1172.393529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.393529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.393529 (E_RNA)
where:
Base-Base interactions energy: -843.855
where: short stacking energy: -354.823
Base-Backbone interact. energy: -1.455
local terms energy: -327.082710
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -56.538
flat angles C4'-P-C4' energy: -71.167
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -97.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1073.037527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.037527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.037527 (E_RNA)
where:
Base-Base interactions energy: -744.831
where: short stacking energy: -304.934
Base-Backbone interact. energy: -0.397
local terms energy: -327.809326
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -60.444
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -45.411
tors. eta vs tors. theta energy: -88.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1112.800577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.800577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.800577 (E_RNA)
where:
Base-Base interactions energy: -786.618
where: short stacking energy: -346.734
Base-Backbone interact. energy: -0.659
local terms energy: -325.523159
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -62.272
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -101.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1024.702865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.702865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.702865 (E_RNA)
where:
Base-Base interactions energy: -708.416
where: short stacking energy: -306.290
Base-Backbone interact. energy: -1.683
local terms energy: -314.603536
where:
bonds (distance) C4'-P energy: -62.330
bonds (distance) P-C4' energy: -55.355
flat angles C4'-P-C4' energy: -75.758
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -84.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -971.083817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.083817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.083817 (E_RNA)
where:
Base-Base interactions energy: -669.826
where: short stacking energy: -276.340
Base-Backbone interact. energy: -1.162
local terms energy: -300.096255
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -63.048
flat angles C4'-P-C4' energy: -62.281
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: -86.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -933.881968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.881968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.881968 (E_RNA)
where:
Base-Base interactions energy: -642.864
where: short stacking energy: -275.725
Base-Backbone interact. energy: -0.662
local terms energy: -290.356180
where:
bonds (distance) C4'-P energy: -53.890
bonds (distance) P-C4' energy: -58.476
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -84.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -829.475371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.475371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.475371 (E_RNA)
where:
Base-Base interactions energy: -572.789
where: short stacking energy: -258.371
Base-Backbone interact. energy: -1.418
local terms energy: -255.267588
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -54.029
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -66.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -704.899241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.899241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.899241 (E_RNA)
where:
Base-Base interactions energy: -471.815
where: short stacking energy: -199.145
Base-Backbone interact. energy: -0.120
local terms energy: -232.963692
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -748.482558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.482558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.482558 (E_RNA)
where:
Base-Base interactions energy: -489.149
where: short stacking energy: -195.985
Base-Backbone interact. energy: -0.586
local terms energy: -258.748070
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -51.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -530.488003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.488003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.488003 (E_RNA)
where:
Base-Base interactions energy: -374.479
where: short stacking energy: -152.635
Base-Backbone interact. energy: -1.154
local terms energy: -154.855525
where:
bonds (distance) C4'-P energy: -48.764
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1162.376553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.376553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.376553 (E_RNA)
where:
Base-Base interactions energy: -820.939
where: short stacking energy: -342.845
Base-Backbone interact. energy: -1.579
local terms energy: -339.858774
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -61.525
flat angles C4'-P-C4' energy: -71.098
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -94.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1075.870507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.870507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.870507 (E_RNA)
where:
Base-Base interactions energy: -752.295
where: short stacking energy: -314.321
Base-Backbone interact. energy: -1.863
local terms energy: -321.712533
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -63.124
flat angles P-C4'-P energy: -51.438
tors. eta vs tors. theta energy: -82.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1116.096276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.096276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.096276 (E_RNA)
where:
Base-Base interactions energy: -779.496
where: short stacking energy: -336.770
Base-Backbone interact. energy: -2.390
local terms energy: -334.210800
where:
bonds (distance) C4'-P energy: -65.048
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -69.832
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -99.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1003.515879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.515879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.515879 (E_RNA)
where:
Base-Base interactions energy: -688.180
where: short stacking energy: -304.427
Base-Backbone interact. energy: -0.174
local terms energy: -315.162121
where:
bonds (distance) C4'-P energy: -64.513
bonds (distance) P-C4' energy: -49.945
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -44.445
tors. eta vs tors. theta energy: -87.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -973.674303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.674303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.674303 (E_RNA)
where:
Base-Base interactions energy: -679.574
where: short stacking energy: -274.760
Base-Backbone interact. energy: -1.635
local terms energy: -292.465908
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -51.475
flat angles C4'-P-C4' energy: -64.670
flat angles P-C4'-P energy: -45.392
tors. eta vs tors. theta energy: -79.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -954.388181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.388181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.388181 (E_RNA)
where:
Base-Base interactions energy: -663.562
where: short stacking energy: -291.244
Base-Backbone interact. energy: -2.042
local terms energy: -288.784088
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -58.412
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -76.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -835.816776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.816776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.816776 (E_RNA)
where:
Base-Base interactions energy: -590.473
where: short stacking energy: -234.786
Base-Backbone interact. energy: -1.170
local terms energy: -244.173831
where:
bonds (distance) C4'-P energy: -37.461
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -49.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -686.947611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.947611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.947611 (E_RNA)
where:
Base-Base interactions energy: -442.779
where: short stacking energy: -198.185
Base-Backbone interact. energy: 0.638
local terms energy: -244.806276
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -43.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -657.376327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.376327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.376327 (E_RNA)
where:
Base-Base interactions energy: -442.688
where: short stacking energy: -186.442
Base-Backbone interact. energy: 2.487
local terms energy: -217.175451
where:
bonds (distance) C4'-P energy: -43.894
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -37.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -487.252951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.252951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.252951 (E_RNA)
where:
Base-Base interactions energy: -304.084
where: short stacking energy: -142.951
Base-Backbone interact. energy: -1.914
local terms energy: -181.254915
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1181.055402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.055402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.055402 (E_RNA)
where:
Base-Base interactions energy: -839.301
where: short stacking energy: -356.154
Base-Backbone interact. energy: -1.974
local terms energy: -339.780665
where:
bonds (distance) C4'-P energy: -62.933
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -98.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1119.139391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.139391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.139391 (E_RNA)
where:
Base-Base interactions energy: -772.056
where: short stacking energy: -335.783
Base-Backbone interact. energy: -1.755
local terms energy: -345.328637
where:
bonds (distance) C4'-P energy: -68.305
bonds (distance) P-C4' energy: -61.408
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: -98.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1058.234169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.234169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.234169 (E_RNA)
where:
Base-Base interactions energy: -739.089
where: short stacking energy: -305.015
Base-Backbone interact. energy: 0.278
local terms energy: -319.422425
where:
bonds (distance) C4'-P energy: -56.931
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -66.349
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: -82.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1026.378802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.378802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.378802 (E_RNA)
where:
Base-Base interactions energy: -698.368
where: short stacking energy: -311.964
Base-Backbone interact. energy: -1.337
local terms energy: -326.674242
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -62.923
flat angles C4'-P-C4' energy: -73.116
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -86.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -948.586928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.586928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.586928 (E_RNA)
where:
Base-Base interactions energy: -652.937
where: short stacking energy: -270.891
Base-Backbone interact. energy: -0.300
local terms energy: -295.350428
where:
bonds (distance) C4'-P energy: -53.612
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -40.937
tors. eta vs tors. theta energy: -81.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -943.661901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.661901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.661901 (E_RNA)
where:
Base-Base interactions energy: -663.771
where: short stacking energy: -290.276
Base-Backbone interact. energy: -0.112
local terms energy: -279.778624
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -76.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -888.632634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.632634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.632634 (E_RNA)
where:
Base-Base interactions energy: -629.685
where: short stacking energy: -260.969
Base-Backbone interact. energy: -0.226
local terms energy: -258.722411
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -55.089
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -65.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -674.444585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.444585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.444585 (E_RNA)
where:
Base-Base interactions energy: -438.050
where: short stacking energy: -201.669
Base-Backbone interact. energy: 1.514
local terms energy: -237.908730
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -61.465
flat angles C4'-P-C4' energy: -55.077
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -610.915852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.915852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.915852 (E_RNA)
where:
Base-Base interactions energy: -390.127
where: short stacking energy: -165.213
Base-Backbone interact. energy: -1.892
local terms energy: -218.896029
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -44.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -471.094689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.094689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.094689 (E_RNA)
where:
Base-Base interactions energy: -272.461
where: short stacking energy: -127.541
Base-Backbone interact. energy: -1.292
local terms energy: -197.341885
where:
bonds (distance) C4'-P energy: -54.761
bonds (distance) P-C4' energy: -52.538
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -38.972
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1186.652711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.652711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.652711 (E_RNA)
where:
Base-Base interactions energy: -834.792
where: short stacking energy: -351.333
Base-Backbone interact. energy: -0.918
local terms energy: -350.942510
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -66.892
flat angles C4'-P-C4' energy: -70.468
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -103.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1111.166311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.166311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.166311 (E_RNA)
where:
Base-Base interactions energy: -788.793
where: short stacking energy: -339.864
Base-Backbone interact. energy: -3.111
local terms energy: -319.262038
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -68.941
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -102.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1070.423517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.423517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.423517 (E_RNA)
where:
Base-Base interactions energy: -736.785
where: short stacking energy: -319.294
Base-Backbone interact. energy: 2.191
local terms energy: -335.830299
where:
bonds (distance) C4'-P energy: -66.206
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -53.977
tors. eta vs tors. theta energy: -87.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1032.567231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.567231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.567231 (E_RNA)
where:
Base-Base interactions energy: -725.429
where: short stacking energy: -302.497
Base-Backbone interact. energy: -1.164
local terms energy: -305.973702
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -56.863
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -82.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -967.959204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.959204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.959204 (E_RNA)
where:
Base-Base interactions energy: -666.864
where: short stacking energy: -291.348
Base-Backbone interact. energy: -1.633
local terms energy: -299.461772
where:
bonds (distance) C4'-P energy: -43.355
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -85.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -921.168046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.168046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.168046 (E_RNA)
where:
Base-Base interactions energy: -646.010
where: short stacking energy: -264.531
Base-Backbone interact. energy: -1.356
local terms energy: -273.802147
where:
bonds (distance) C4'-P energy: -52.893
bonds (distance) P-C4' energy: -59.932
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -71.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -846.543310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.543310 (E_RNA)
where:
Base-Base interactions energy: -571.163
where: short stacking energy: -268.822
Base-Backbone interact. energy: 1.524
local terms energy: -276.904298
where:
bonds (distance) C4'-P energy: -54.179
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -76.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -678.572253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.572253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.572253 (E_RNA)
where:
Base-Base interactions energy: -461.535
where: short stacking energy: -204.493
Base-Backbone interact. energy: -1.034
local terms energy: -216.004123
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -58.500
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -44.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -531.644143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.644143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.644143 (E_RNA)
where:
Base-Base interactions energy: -297.412
where: short stacking energy: -140.317
Base-Backbone interact. energy: -0.333
local terms energy: -233.899124
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -32.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -539.130065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.130065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.130065 (E_RNA)
where:
Base-Base interactions energy: -346.078
where: short stacking energy: -156.309
Base-Backbone interact. energy: -0.983
local terms energy: -192.068201
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1173.603511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.603511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.603511 (E_RNA)
where:
Base-Base interactions energy: -845.065
where: short stacking energy: -352.354
Base-Backbone interact. energy: -1.148
local terms energy: -327.390450
where:
bonds (distance) C4'-P energy: -53.050
bonds (distance) P-C4' energy: -61.927
flat angles C4'-P-C4' energy: -73.548
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -97.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1124.678383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.678383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.678383 (E_RNA)
where:
Base-Base interactions energy: -802.792
where: short stacking energy: -349.007
Base-Backbone interact. energy: -1.120
local terms energy: -320.765857
where:
bonds (distance) C4'-P energy: -55.893
bonds (distance) P-C4' energy: -60.086
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -104.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1047.702866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.702866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.702866 (E_RNA)
where:
Base-Base interactions energy: -742.755
where: short stacking energy: -327.914
Base-Backbone interact. energy: 0.562
local terms energy: -305.509861
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -68.068
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -89.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1056.653597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.653597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.653597 (E_RNA)
where:
Base-Base interactions energy: -728.186
where: short stacking energy: -294.674
Base-Backbone interact. energy: -0.865
local terms energy: -327.602608
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -67.309
flat angles C4'-P-C4' energy: -67.714
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -87.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -940.772223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.772223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.772223 (E_RNA)
where:
Base-Base interactions energy: -639.599
where: short stacking energy: -272.983
Base-Backbone interact. energy: -1.262
local terms energy: -299.910755
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -55.301
flat angles C4'-P-C4' energy: -66.932
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -79.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -907.924571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.924571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.924571 (E_RNA)
where:
Base-Base interactions energy: -630.902
where: short stacking energy: -255.653
Base-Backbone interact. energy: -0.846
local terms energy: -276.175905
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -50.074
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -71.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -829.636933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.636933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.636933 (E_RNA)
where:
Base-Base interactions energy: -555.354
where: short stacking energy: -242.270
Base-Backbone interact. energy: -2.548
local terms energy: -271.735560
where:
bonds (distance) C4'-P energy: -45.487
bonds (distance) P-C4' energy: -57.883
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -36.654
tors. eta vs tors. theta energy: -61.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -753.701538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.701538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.701538 (E_RNA)
where:
Base-Base interactions energy: -489.822
where: short stacking energy: -216.771
Base-Backbone interact. energy: -0.458
local terms energy: -263.421195
where:
bonds (distance) C4'-P energy: -54.698
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -619.054399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.054399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.054399 (E_RNA)
where:
Base-Base interactions energy: -392.591
where: short stacking energy: -181.499
Base-Backbone interact. energy: -0.040
local terms energy: -226.423436
where:
bonds (distance) C4'-P energy: -47.937
bonds (distance) P-C4' energy: -49.725
flat angles C4'-P-C4' energy: -53.780
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -36.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -499.675062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.675062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.675062 (E_RNA)
where:
Base-Base interactions energy: -311.074
where: short stacking energy: -145.452
Base-Backbone interact. energy: 0.230
local terms energy: -188.830557
where:
bonds (distance) C4'-P energy: -48.086
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1168.491317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.491317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.491317 (E_RNA)
where:
Base-Base interactions energy: -832.944
where: short stacking energy: -339.545
Base-Backbone interact. energy: -1.541
local terms energy: -334.005708
where:
bonds (distance) C4'-P energy: -57.609
bonds (distance) P-C4' energy: -61.139
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -98.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1119.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.725420 (E_RNA)
where:
Base-Base interactions energy: -790.595
where: short stacking energy: -348.462
Base-Backbone interact. energy: -0.600
local terms energy: -328.530577
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -62.634
flat angles C4'-P-C4' energy: -67.334
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -102.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1045.408831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.408831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.408831 (E_RNA)
where:
Base-Base interactions energy: -738.584
where: short stacking energy: -298.873
Base-Backbone interact. energy: -0.395
local terms energy: -306.429645
where:
bonds (distance) C4'-P energy: -58.320
bonds (distance) P-C4' energy: -65.366
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: -74.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1010.816906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.816906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.816906 (E_RNA)
where:
Base-Base interactions energy: -693.762
where: short stacking energy: -288.775
Base-Backbone interact. energy: 1.465
local terms energy: -318.519780
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -64.543
flat angles C4'-P-C4' energy: -69.146
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -86.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -949.031952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.031952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.031952 (E_RNA)
where:
Base-Base interactions energy: -647.786
where: short stacking energy: -288.599
Base-Backbone interact. energy: -1.264
local terms energy: -299.981343
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -42.827
tors. eta vs tors. theta energy: -81.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -957.733358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.733358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.733358 (E_RNA)
where:
Base-Base interactions energy: -655.055
where: short stacking energy: -288.360
Base-Backbone interact. energy: -0.996
local terms energy: -301.682858
where:
bonds (distance) C4'-P energy: -54.923
bonds (distance) P-C4' energy: -50.712
flat angles C4'-P-C4' energy: -67.397
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -84.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -839.398530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.398530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.398530 (E_RNA)
where:
Base-Base interactions energy: -579.303
where: short stacking energy: -263.902
Base-Backbone interact. energy: 0.652
local terms energy: -260.748106
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -63.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -764.872686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.872686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.872686 (E_RNA)
where:
Base-Base interactions energy: -506.523
where: short stacking energy: -228.601
Base-Backbone interact. energy: -1.234
local terms energy: -257.116053
where:
bonds (distance) C4'-P energy: -63.443
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -51.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -593.923428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.923428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.923428 (E_RNA)
where:
Base-Base interactions energy: -377.848
where: short stacking energy: -158.321
Base-Backbone interact. energy: 1.755
local terms energy: -217.830196
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -524.762006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.762006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.762006 (E_RNA)
where:
Base-Base interactions energy: -336.600
where: short stacking energy: -157.290
Base-Backbone interact. energy: -1.060
local terms energy: -187.101658
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -39.931
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1173.712085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.712085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.712085 (E_RNA)
where:
Base-Base interactions energy: -837.437
where: short stacking energy: -357.462
Base-Backbone interact. energy: 2.741
local terms energy: -339.015706
where:
bonds (distance) C4'-P energy: -60.384
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -102.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1116.344755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.344755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.344755 (E_RNA)
where:
Base-Base interactions energy: -797.406
where: short stacking energy: -342.036
Base-Backbone interact. energy: 0.430
local terms energy: -319.369094
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -61.583
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -43.407
tors. eta vs tors. theta energy: -98.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1060.781665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.781665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.781665 (E_RNA)
where:
Base-Base interactions energy: -740.647
where: short stacking energy: -301.700
Base-Backbone interact. energy: -1.417
local terms energy: -318.718008
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -65.571
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -88.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1001.847280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.847280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.847280 (E_RNA)
where:
Base-Base interactions energy: -691.102
where: short stacking energy: -285.459
Base-Backbone interact. energy: -0.879
local terms energy: -309.866829
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -59.187
flat angles P-C4'-P energy: -49.741
tors. eta vs tors. theta energy: -78.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -948.111646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.111646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.111646 (E_RNA)
where:
Base-Base interactions energy: -662.108
where: short stacking energy: -292.189
Base-Backbone interact. energy: -2.143
local terms energy: -283.861021
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -49.279
flat angles C4'-P-C4' energy: -63.471
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -84.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -958.028339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.028339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.028339 (E_RNA)
where:
Base-Base interactions energy: -666.027
where: short stacking energy: -295.324
Base-Backbone interact. energy: -1.891
local terms energy: -290.109568
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -65.366
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -87.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -856.492855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.492855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.492855 (E_RNA)
where:
Base-Base interactions energy: -586.547
where: short stacking energy: -248.247
Base-Backbone interact. energy: 0.096
local terms energy: -270.041578
where:
bonds (distance) C4'-P energy: -56.658
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -55.338
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -67.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -747.179265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.179265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.179265 (E_RNA)
where:
Base-Base interactions energy: -500.193
where: short stacking energy: -229.436
Base-Backbone interact. energy: -2.146
local terms energy: -244.840186
where:
bonds (distance) C4'-P energy: -44.774
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -52.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -517.123271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.123271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.123271 (E_RNA)
where:
Base-Base interactions energy: -330.232
where: short stacking energy: -160.410
Base-Backbone interact. energy: 0.256
local terms energy: -187.147097
where:
bonds (distance) C4'-P energy: -40.281
bonds (distance) P-C4' energy: -62.199
flat angles C4'-P-C4' energy: -42.325
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -521.325902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.325902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.325902 (E_RNA)
where:
Base-Base interactions energy: -305.698
where: short stacking energy: -141.688
Base-Backbone interact. energy: -1.262
local terms energy: -214.365619
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -59.434
flat angles C4'-P-C4' energy: -51.530
flat angles P-C4'-P energy: -33.182
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1182.626472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.626472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.626472 (E_RNA)
where:
Base-Base interactions energy: -844.956
where: short stacking energy: -363.624
Base-Backbone interact. energy: -1.255
local terms energy: -336.415958
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -63.369
flat angles C4'-P-C4' energy: -67.440
flat angles P-C4'-P energy: -50.955
tors. eta vs tors. theta energy: -101.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1115.604517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.604517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.604517 (E_RNA)
where:
Base-Base interactions energy: -787.269
where: short stacking energy: -340.193
Base-Backbone interact. energy: -0.459
local terms energy: -327.877328
where:
bonds (distance) C4'-P energy: -53.436
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -72.181
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -101.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1065.417911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.417911 (E_RNA)
where:
Base-Base interactions energy: -739.136
where: short stacking energy: -319.098
Base-Backbone interact. energy: -0.451
local terms energy: -325.830163
where:
bonds (distance) C4'-P energy: -64.181
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -43.603
tors. eta vs tors. theta energy: -95.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1046.073095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.073095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.073095 (E_RNA)
where:
Base-Base interactions energy: -724.058
where: short stacking energy: -298.055
Base-Backbone interact. energy: 0.068
local terms energy: -322.082354
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -59.154
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -81.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -953.463152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.463152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.463152 (E_RNA)
where:
Base-Base interactions energy: -652.749
where: short stacking energy: -294.781
Base-Backbone interact. energy: -1.594
local terms energy: -299.119764
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -68.266
flat angles P-C4'-P energy: -44.218
tors. eta vs tors. theta energy: -90.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -954.624291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.624291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.624291 (E_RNA)
where:
Base-Base interactions energy: -654.512
where: short stacking energy: -300.453
Base-Backbone interact. energy: 0.464
local terms energy: -300.576894
where:
bonds (distance) C4'-P energy: -60.156
bonds (distance) P-C4' energy: -47.780
flat angles C4'-P-C4' energy: -66.489
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -86.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -868.733977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.733977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.733977 (E_RNA)
where:
Base-Base interactions energy: -606.277
where: short stacking energy: -264.681
Base-Backbone interact. energy: -1.803
local terms energy: -260.654383
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -60.458
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -719.558801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.558801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.558801 (E_RNA)
where:
Base-Base interactions energy: -474.916
where: short stacking energy: -210.964
Base-Backbone interact. energy: -0.756
local terms energy: -243.886598
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -50.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -559.789314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.789314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.789314 (E_RNA)
where:
Base-Base interactions energy: -358.129
where: short stacking energy: -161.263
Base-Backbone interact. energy: 1.955
local terms energy: -203.615309
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -501.363893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.363893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.363893 (E_RNA)
where:
Base-Base interactions energy: -311.945
where: short stacking energy: -125.338
Base-Backbone interact. energy: 0.902
local terms energy: -190.320721
where:
bonds (distance) C4'-P energy: -41.954
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1171.852877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.852877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.852877 (E_RNA)
where:
Base-Base interactions energy: -831.599
where: short stacking energy: -355.506
Base-Backbone interact. energy: -1.104
local terms energy: -339.149533
where:
bonds (distance) C4'-P energy: -65.661
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -40.771
tors. eta vs tors. theta energy: -101.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1082.112672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.112672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.112672 (E_RNA)
where:
Base-Base interactions energy: -750.482
where: short stacking energy: -319.971
Base-Backbone interact. energy: -1.278
local terms energy: -330.352648
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -57.527
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -93.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1099.046052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.046052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.046052 (E_RNA)
where:
Base-Base interactions energy: -778.163
where: short stacking energy: -344.194
Base-Backbone interact. energy: -1.109
local terms energy: -319.773859
where:
bonds (distance) C4'-P energy: -60.307
bonds (distance) P-C4' energy: -58.262
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -96.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1039.822625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.822625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.822625 (E_RNA)
where:
Base-Base interactions energy: -728.569
where: short stacking energy: -302.649
Base-Backbone interact. energy: -1.211
local terms energy: -310.042913
where:
bonds (distance) C4'-P energy: -52.828
bonds (distance) P-C4' energy: -68.769
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -85.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -943.256600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.256600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.256600 (E_RNA)
where:
Base-Base interactions energy: -644.069
where: short stacking energy: -290.977
Base-Backbone interact. energy: -1.754
local terms energy: -297.433208
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -82.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -975.139814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.139814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.139814 (E_RNA)
where:
Base-Base interactions energy: -676.524
where: short stacking energy: -300.744
Base-Backbone interact. energy: -0.056
local terms energy: -298.559253
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -43.883
tors. eta vs tors. theta energy: -90.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -861.463399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.463399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.463399 (E_RNA)
where:
Base-Base interactions energy: -599.012
where: short stacking energy: -260.993
Base-Backbone interact. energy: -0.610
local terms energy: -261.841866
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -61.357
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -65.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -742.532977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.532977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.532977 (E_RNA)
where:
Base-Base interactions energy: -491.671
where: short stacking energy: -224.104
Base-Backbone interact. energy: -1.036
local terms energy: -249.825718
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -63.431
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -55.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -568.232757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.232757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.232757 (E_RNA)
where:
Base-Base interactions energy: -382.399
where: short stacking energy: -184.454
Base-Backbone interact. energy: 1.380
local terms energy: -187.213321
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -37.622
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -31.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -496.604022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.604022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.604022 (E_RNA)
where:
Base-Base interactions energy: -316.479
where: short stacking energy: -144.254
Base-Backbone interact. energy: 3.149
local terms energy: -183.274293
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -47.491
flat angles C4'-P-C4' energy: -50.413
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1160.966940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.966940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.966940 (E_RNA)
where:
Base-Base interactions energy: -821.717
where: short stacking energy: -347.947
Base-Backbone interact. energy: -0.869
local terms energy: -338.380237
where:
bonds (distance) C4'-P energy: -70.507
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -103.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1070.522365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.522365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.522365 (E_RNA)
where:
Base-Base interactions energy: -745.181
where: short stacking energy: -310.268
Base-Backbone interact. energy: 0.712
local terms energy: -326.053644
where:
bonds (distance) C4'-P energy: -65.305
bonds (distance) P-C4' energy: -61.095
flat angles C4'-P-C4' energy: -65.377
flat angles P-C4'-P energy: -46.397
tors. eta vs tors. theta energy: -87.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1110.083230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.083230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.083230 (E_RNA)
where:
Base-Base interactions energy: -778.663
where: short stacking energy: -333.274
Base-Backbone interact. energy: -1.322
local terms energy: -330.097596
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -57.199
flat angles C4'-P-C4' energy: -68.866
flat angles P-C4'-P energy: -41.743
tors. eta vs tors. theta energy: -101.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1032.721340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.721340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.721340 (E_RNA)
where:
Base-Base interactions energy: -724.896
where: short stacking energy: -295.791
Base-Backbone interact. energy: 0.054
local terms energy: -307.879323
where:
bonds (distance) C4'-P energy: -59.269
bonds (distance) P-C4' energy: -52.835
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: -86.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -956.466551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.466551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.466551 (E_RNA)
where:
Base-Base interactions energy: -657.688
where: short stacking energy: -291.613
Base-Backbone interact. energy: -2.283
local terms energy: -296.495859
where:
bonds (distance) C4'-P energy: -53.917
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -65.569
flat angles P-C4'-P energy: -33.772
tors. eta vs tors. theta energy: -84.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -951.013296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.013296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.013296 (E_RNA)
where:
Base-Base interactions energy: -653.606
where: short stacking energy: -291.619
Base-Backbone interact. energy: -0.039
local terms energy: -297.368719
where:
bonds (distance) C4'-P energy: -49.128
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -69.481
flat angles P-C4'-P energy: -37.658
tors. eta vs tors. theta energy: -78.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -853.739049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.739049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.739049 (E_RNA)
where:
Base-Base interactions energy: -579.686
where: short stacking energy: -254.005
Base-Backbone interact. energy: -2.330
local terms energy: -271.722769
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -56.795
flat angles C4'-P-C4' energy: -56.136
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -63.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -749.212778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.212778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.212778 (E_RNA)
where:
Base-Base interactions energy: -500.459
where: short stacking energy: -224.381
Base-Backbone interact. energy: -1.001
local terms energy: -247.753436
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -63.350
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -54.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -487.293726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.293726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.293726 (E_RNA)
where:
Base-Base interactions energy: -283.601
where: short stacking energy: -137.198
Base-Backbone interact. energy: -0.920
local terms energy: -202.773121
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -511.243981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.243981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.243981 (E_RNA)
where:
Base-Base interactions energy: -313.207
where: short stacking energy: -137.629
Base-Backbone interact. energy: -2.906
local terms energy: -195.130299
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1187.529343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.529343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.529343 (E_RNA)
where:
Base-Base interactions energy: -839.888
where: short stacking energy: -362.073
Base-Backbone interact. energy: -1.302
local terms energy: -346.339482
where:
bonds (distance) C4'-P energy: -64.530
bonds (distance) P-C4' energy: -60.842
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -99.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1126.070170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.070170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.070170 (E_RNA)
where:
Base-Base interactions energy: -791.397
where: short stacking energy: -335.933
Base-Backbone interact. energy: -0.970
local terms energy: -333.703376
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -67.520
flat angles P-C4'-P energy: -44.292
tors. eta vs tors. theta energy: -100.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1051.478791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.478791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.478791 (E_RNA)
where:
Base-Base interactions energy: -738.925
where: short stacking energy: -310.076
Base-Backbone interact. energy: -0.181
local terms energy: -312.372786
where:
bonds (distance) C4'-P energy: -49.345
bonds (distance) P-C4' energy: -66.141
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -85.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1012.130991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.130991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.130991 (E_RNA)
where:
Base-Base interactions energy: -709.321
where: short stacking energy: -291.027
Base-Backbone interact. energy: -1.522
local terms energy: -301.287506
where:
bonds (distance) C4'-P energy: -58.575
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -37.416
tors. eta vs tors. theta energy: -91.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -981.961371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.961371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.961371 (E_RNA)
where:
Base-Base interactions energy: -676.155
where: short stacking energy: -300.531
Base-Backbone interact. energy: -1.565
local terms energy: -304.241262
where:
bonds (distance) C4'-P energy: -52.718
bonds (distance) P-C4' energy: -58.202
flat angles C4'-P-C4' energy: -64.102
flat angles P-C4'-P energy: -44.947
tors. eta vs tors. theta energy: -84.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -961.158036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.158036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.158036 (E_RNA)
where:
Base-Base interactions energy: -680.049
where: short stacking energy: -284.893
Base-Backbone interact. energy: -0.467
local terms energy: -280.641852
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -47.306
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -79.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -871.809989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.809989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.809989 (E_RNA)
where:
Base-Base interactions energy: -596.586
where: short stacking energy: -276.987
Base-Backbone interact. energy: -0.472
local terms energy: -274.751816
where:
bonds (distance) C4'-P energy: -49.932
bonds (distance) P-C4' energy: -51.368
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -78.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -760.942607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.942607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.942607 (E_RNA)
where:
Base-Base interactions energy: -510.119
where: short stacking energy: -214.077
Base-Backbone interact. energy: -1.982
local terms energy: -248.841224
where:
bonds (distance) C4'-P energy: -35.094
bonds (distance) P-C4' energy: -52.042
flat angles C4'-P-C4' energy: -62.441
flat angles P-C4'-P energy: -39.239
tors. eta vs tors. theta energy: -60.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -515.233041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.233041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.233041 (E_RNA)
where:
Base-Base interactions energy: -325.118
where: short stacking energy: -152.753
Base-Backbone interact. energy: 1.106
local terms energy: -191.220984
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -54.769
flat angles C4'-P-C4' energy: -44.834
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -537.919635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.919635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.919635 (E_RNA)
where:
Base-Base interactions energy: -351.240
where: short stacking energy: -166.798
Base-Backbone interact. energy: 1.291
local terms energy: -187.970481
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -49.150
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1179.112247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.112247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.112247 (E_RNA)
where:
Base-Base interactions energy: -825.691
where: short stacking energy: -339.174
Base-Backbone interact. energy: -1.866
local terms energy: -351.555238
where:
bonds (distance) C4'-P energy: -62.602
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -71.772
flat angles P-C4'-P energy: -57.441
tors. eta vs tors. theta energy: -98.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1114.732717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.732717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.732717 (E_RNA)
where:
Base-Base interactions energy: -783.328
where: short stacking energy: -329.886
Base-Backbone interact. energy: -0.719
local terms energy: -330.686031
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -96.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1059.934311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.934311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.934311 (E_RNA)
where:
Base-Base interactions energy: -752.893
where: short stacking energy: -307.514
Base-Backbone interact. energy: 2.329
local terms energy: -309.370406
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -55.804
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -83.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1028.025455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.025455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.025455 (E_RNA)
where:
Base-Base interactions energy: -731.780
where: short stacking energy: -301.309
Base-Backbone interact. energy: -1.090
local terms energy: -295.155522
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -85.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -978.831728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.831728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.831728 (E_RNA)
where:
Base-Base interactions energy: -676.919
where: short stacking energy: -310.159
Base-Backbone interact. energy: -0.710
local terms energy: -301.202544
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -55.402
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: -86.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -933.147144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.147144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.147144 (E_RNA)
where:
Base-Base interactions energy: -649.748
where: short stacking energy: -280.000
Base-Backbone interact. energy: 1.569
local terms energy: -284.967837
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -53.535
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -79.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -853.615220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.615220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.615220 (E_RNA)
where:
Base-Base interactions energy: -588.625
where: short stacking energy: -258.396
Base-Backbone interact. energy: 0.639
local terms energy: -265.629196
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -63.296
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -66.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -759.921396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.921396 (E_RNA)
where:
Base-Base interactions energy: -522.209
where: short stacking energy: -225.405
Base-Backbone interact. energy: 5.792
local terms energy: -243.504275
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -56.403
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -59.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -520.482493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.482493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.482493 (E_RNA)
where:
Base-Base interactions energy: -315.950
where: short stacking energy: -153.750
Base-Backbone interact. energy: -0.760
local terms energy: -203.772457
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -42.358
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -557.167942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.167942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.167942 (E_RNA)
where:
Base-Base interactions energy: -343.050
where: short stacking energy: -154.026
Base-Backbone interact. energy: 2.139
local terms energy: -216.257196
where:
bonds (distance) C4'-P energy: -55.651
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -32.101
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1175.972164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.972164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.972164 (E_RNA)
where:
Base-Base interactions energy: -817.129
where: short stacking energy: -346.973
Base-Backbone interact. energy: -0.699
local terms energy: -358.144623
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -65.694
flat angles C4'-P-C4' energy: -74.805
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -99.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1117.473123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.473123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.473123 (E_RNA)
where:
Base-Base interactions energy: -774.258
where: short stacking energy: -342.056
Base-Backbone interact. energy: -0.557
local terms energy: -342.658828
where:
bonds (distance) C4'-P energy: -56.484
bonds (distance) P-C4' energy: -65.967
flat angles C4'-P-C4' energy: -67.714
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -102.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1067.584260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.584260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.584260 (E_RNA)
where:
Base-Base interactions energy: -738.150
where: short stacking energy: -327.316
Base-Backbone interact. energy: -0.593
local terms energy: -328.840652
where:
bonds (distance) C4'-P energy: -62.862
bonds (distance) P-C4' energy: -60.109
flat angles C4'-P-C4' energy: -68.772
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -89.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1034.241927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.241927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.241927 (E_RNA)
where:
Base-Base interactions energy: -726.114
where: short stacking energy: -301.352
Base-Backbone interact. energy: 0.206
local terms energy: -308.333803
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -48.893
tors. eta vs tors. theta energy: -81.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1001.036539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.036539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.036539 (E_RNA)
where:
Base-Base interactions energy: -697.918
where: short stacking energy: -317.533
Base-Backbone interact. energy: 2.721
local terms energy: -305.839579
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -65.641
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -93.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -923.132950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.132950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.132950 (E_RNA)
where:
Base-Base interactions energy: -634.830
where: short stacking energy: -269.782
Base-Backbone interact. energy: -0.314
local terms energy: -287.988705
where:
bonds (distance) C4'-P energy: -50.129
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -831.597541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.597541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.597541 (E_RNA)
where:
Base-Base interactions energy: -546.687
where: short stacking energy: -241.993
Base-Backbone interact. energy: -1.021
local terms energy: -283.889273
where:
bonds (distance) C4'-P energy: -56.555
bonds (distance) P-C4' energy: -57.334
flat angles C4'-P-C4' energy: -59.004
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -70.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -785.321130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.321130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.321130 (E_RNA)
where:
Base-Base interactions energy: -550.490
where: short stacking energy: -235.916
Base-Backbone interact. energy: -0.560
local terms energy: -234.271775
where:
bonds (distance) C4'-P energy: -38.687
bonds (distance) P-C4' energy: -43.193
flat angles C4'-P-C4' energy: -59.402
flat angles P-C4'-P energy: -39.245
tors. eta vs tors. theta energy: -53.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -566.802985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.802985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.802985 (E_RNA)
where:
Base-Base interactions energy: -353.556
where: short stacking energy: -178.542
Base-Backbone interact. energy: -0.509
local terms energy: -212.738379
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -57.143
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -34.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -544.052196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.052196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.052196 (E_RNA)
where:
Base-Base interactions energy: -337.842
where: short stacking energy: -146.891
Base-Backbone interact. energy: -1.049
local terms energy: -205.160719
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -51.645
flat angles C4'-P-C4' energy: -42.319
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1123.556218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.556218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.556218 (E_RNA)
where:
Base-Base interactions energy: -793.599
where: short stacking energy: -351.286
Base-Backbone interact. energy: -0.661
local terms energy: -329.296466
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -56.577
flat angles C4'-P-C4' energy: -71.669
flat angles P-C4'-P energy: -51.837
tors. eta vs tors. theta energy: -97.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1173.927944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.927944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.927944 (E_RNA)
where:
Base-Base interactions energy: -818.566
where: short stacking energy: -346.962
Base-Backbone interact. energy: -1.733
local terms energy: -353.629478
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -63.303
flat angles C4'-P-C4' energy: -73.455
flat angles P-C4'-P energy: -51.738
tors. eta vs tors. theta energy: -100.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1065.466145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.466145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.466145 (E_RNA)
where:
Base-Base interactions energy: -751.441
where: short stacking energy: -315.995
Base-Backbone interact. energy: -0.230
local terms energy: -313.794801
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -89.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1038.139173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.139173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.139173 (E_RNA)
where:
Base-Base interactions energy: -742.884
where: short stacking energy: -309.963
Base-Backbone interact. energy: 1.044
local terms energy: -296.299394
where:
bonds (distance) C4'-P energy: -56.469
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -65.504
flat angles P-C4'-P energy: -47.672
tors. eta vs tors. theta energy: -81.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -955.971124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.971124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.971124 (E_RNA)
where:
Base-Base interactions energy: -665.879
where: short stacking energy: -290.590
Base-Backbone interact. energy: 1.244
local terms energy: -291.335661
where:
bonds (distance) C4'-P energy: -53.264
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -63.921
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -79.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -958.820953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.820953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.820953 (E_RNA)
where:
Base-Base interactions energy: -660.559
where: short stacking energy: -298.511
Base-Backbone interact. energy: 0.241
local terms energy: -298.502250
where:
bonds (distance) C4'-P energy: -59.041
bonds (distance) P-C4' energy: -49.490
flat angles C4'-P-C4' energy: -68.942
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -85.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -844.833360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.833360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.833360 (E_RNA)
where:
Base-Base interactions energy: -577.497
where: short stacking energy: -240.857
Base-Backbone interact. energy: 1.735
local terms energy: -269.071672
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -64.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -764.601505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.601505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.601505 (E_RNA)
where:
Base-Base interactions energy: -501.112
where: short stacking energy: -209.038
Base-Backbone interact. energy: 0.087
local terms energy: -263.576520
where:
bonds (distance) C4'-P energy: -55.805
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -59.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -573.358424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.358424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.358424 (E_RNA)
where:
Base-Base interactions energy: -363.226
where: short stacking energy: -165.048
Base-Backbone interact. energy: -0.758
local terms energy: -209.374730
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -24.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -493.442017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.442017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.442017 (E_RNA)
where:
Base-Base interactions energy: -300.627
where: short stacking energy: -156.279
Base-Backbone interact. energy: 1.460
local terms energy: -194.274750
where:
bonds (distance) C4'-P energy: -46.464
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1133.214108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.214108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.214108 (E_RNA)
where:
Base-Base interactions energy: -788.326
where: short stacking energy: -335.921
Base-Backbone interact. energy: -1.267
local terms energy: -343.620749
where:
bonds (distance) C4'-P energy: -65.914
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -101.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1168.058231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.058231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.058231 (E_RNA)
where:
Base-Base interactions energy: -837.303
where: short stacking energy: -345.118
Base-Backbone interact. energy: -1.252
local terms energy: -329.503575
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -59.962
flat angles C4'-P-C4' energy: -72.110
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -97.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1046.632542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.632542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.632542 (E_RNA)
where:
Base-Base interactions energy: -731.546
where: short stacking energy: -318.165
Base-Backbone interact. energy: -4.292
local terms energy: -310.794011
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -66.857
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -87.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1042.239839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.239839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.239839 (E_RNA)
where:
Base-Base interactions energy: -722.884
where: short stacking energy: -305.933
Base-Backbone interact. energy: -0.687
local terms energy: -318.668876
where:
bonds (distance) C4'-P energy: -63.665
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -91.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -961.432453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.432453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.432453 (E_RNA)
where:
Base-Base interactions energy: -649.189
where: short stacking energy: -292.780
Base-Backbone interact. energy: -0.574
local terms energy: -311.669159
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -48.984
tors. eta vs tors. theta energy: -78.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -943.599539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.599539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.599539 (E_RNA)
where:
Base-Base interactions energy: -663.823
where: short stacking energy: -288.943
Base-Backbone interact. energy: -1.208
local terms energy: -278.568162
where:
bonds (distance) C4'-P energy: -44.468
bonds (distance) P-C4' energy: -50.410
flat angles C4'-P-C4' energy: -65.546
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -85.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -861.624735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.624735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.624735 (E_RNA)
where:
Base-Base interactions energy: -599.336
where: short stacking energy: -276.740
Base-Backbone interact. energy: -2.358
local terms energy: -259.930830
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -56.345
flat angles C4'-P-C4' energy: -57.650
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -66.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -773.603613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.603613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.603613 (E_RNA)
where:
Base-Base interactions energy: -531.032
where: short stacking energy: -223.365
Base-Backbone interact. energy: -2.267
local terms energy: -240.304083
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -29.368
tors. eta vs tors. theta energy: -55.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -527.333744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.333744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.333744 (E_RNA)
where:
Base-Base interactions energy: -333.790
where: short stacking energy: -157.097
Base-Backbone interact. energy: 2.065
local terms energy: -195.608122
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -41.243
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -490.931317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.931317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.931317 (E_RNA)
where:
Base-Base interactions energy: -324.118
where: short stacking energy: -134.455
Base-Backbone interact. energy: -2.276
local terms energy: -164.537110
where:
bonds (distance) C4'-P energy: -31.320
bonds (distance) P-C4' energy: -53.106
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1156.907375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.907375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.907375 (E_RNA)
where:
Base-Base interactions energy: -824.284
where: short stacking energy: -348.501
Base-Backbone interact. energy: -0.662
local terms energy: -331.960888
where:
bonds (distance) C4'-P energy: -63.505
bonds (distance) P-C4' energy: -52.962
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -102.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1115.236184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.236184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.236184 (E_RNA)
where:
Base-Base interactions energy: -771.224
where: short stacking energy: -327.823
Base-Backbone interact. energy: -1.403
local terms energy: -342.608966
where:
bonds (distance) C4'-P energy: -66.963
bonds (distance) P-C4' energy: -61.218
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -100.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1067.303184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.303184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.303184 (E_RNA)
where:
Base-Base interactions energy: -745.092
where: short stacking energy: -318.786
Base-Backbone interact. energy: 0.323
local terms energy: -322.534134
where:
bonds (distance) C4'-P energy: -62.543
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -77.634
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -86.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1013.267829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.267829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.267829 (E_RNA)
where:
Base-Base interactions energy: -700.277
where: short stacking energy: -298.834
Base-Backbone interact. energy: 0.260
local terms energy: -313.250736
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -65.103
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -84.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -964.036535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.036535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.036535 (E_RNA)
where:
Base-Base interactions energy: -677.310
where: short stacking energy: -296.414
Base-Backbone interact. energy: 2.406
local terms energy: -289.132877
where:
bonds (distance) C4'-P energy: -57.027
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -43.421
tors. eta vs tors. theta energy: -77.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -951.476456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.476456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.476456 (E_RNA)
where:
Base-Base interactions energy: -658.533
where: short stacking energy: -302.464
Base-Backbone interact. energy: -0.997
local terms energy: -291.947250
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -58.016
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -80.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -860.979079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.979079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.979079 (E_RNA)
where:
Base-Base interactions energy: -583.860
where: short stacking energy: -260.631
Base-Backbone interact. energy: -0.921
local terms energy: -276.198581
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -52.815
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -75.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -750.851734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.851734 (E_RNA)
where:
Base-Base interactions energy: -500.809
where: short stacking energy: -230.236
Base-Backbone interact. energy: -0.795
local terms energy: -249.248205
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -58.809
flat angles C4'-P-C4' energy: -61.392
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -57.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -560.689903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.689903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.689903 (E_RNA)
where:
Base-Base interactions energy: -338.475
where: short stacking energy: -157.705
Base-Backbone interact. energy: -1.081
local terms energy: -221.134570
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -57.287
flat angles C4'-P-C4' energy: -48.569
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -500.039614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.039614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.039614 (E_RNA)
where:
Base-Base interactions energy: -294.499
where: short stacking energy: -139.475
Base-Backbone interact. energy: -1.769
local terms energy: -203.772125
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -64.986
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1165.375311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.375311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.375311 (E_RNA)
where:
Base-Base interactions energy: -828.656
where: short stacking energy: -353.106
Base-Backbone interact. energy: -0.435
local terms energy: -336.284204
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -72.840
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -98.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1116.587262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.587262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.587262 (E_RNA)
where:
Base-Base interactions energy: -793.069
where: short stacking energy: -344.099
Base-Backbone interact. energy: -0.067
local terms energy: -323.450446
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -55.785
flat angles C4'-P-C4' energy: -70.929
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -97.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1051.817278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.817278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.817278 (E_RNA)
where:
Base-Base interactions energy: -727.683
where: short stacking energy: -309.457
Base-Backbone interact. energy: 0.191
local terms energy: -324.325218
where:
bonds (distance) C4'-P energy: -64.540
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -67.660
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -81.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -987.720886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.720886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.720886 (E_RNA)
where:
Base-Base interactions energy: -665.875
where: short stacking energy: -298.213
Base-Backbone interact. energy: -0.430
local terms energy: -321.415633
where:
bonds (distance) C4'-P energy: -63.178
bonds (distance) P-C4' energy: -57.183
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -48.349
tors. eta vs tors. theta energy: -88.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -993.836829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.836829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.836829 (E_RNA)
where:
Base-Base interactions energy: -707.862
where: short stacking energy: -306.946
Base-Backbone interact. energy: -1.278
local terms energy: -284.696757
where:
bonds (distance) C4'-P energy: -53.093
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -86.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -938.559502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.559502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.559502 (E_RNA)
where:
Base-Base interactions energy: -644.544
where: short stacking energy: -289.918
Base-Backbone interact. energy: -1.065
local terms energy: -292.950374
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -55.633
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -79.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -886.543946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.543946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.543946 (E_RNA)
where:
Base-Base interactions energy: -604.161
where: short stacking energy: -259.530
Base-Backbone interact. energy: -0.922
local terms energy: -281.461032
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -48.970
flat angles C4'-P-C4' energy: -62.069
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -78.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -765.277833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.277833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.277833 (E_RNA)
where:
Base-Base interactions energy: -517.284
where: short stacking energy: -217.657
Base-Backbone interact. energy: -0.330
local terms energy: -247.663474
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -45.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -497.813854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.813854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.813854 (E_RNA)
where:
Base-Base interactions energy: -303.735
where: short stacking energy: -152.133
Base-Backbone interact. energy: -1.152
local terms energy: -192.927656
where:
bonds (distance) C4'-P energy: -44.569
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -517.366251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.366251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.366251 (E_RNA)
where:
Base-Base interactions energy: -334.636
where: short stacking energy: -148.455
Base-Backbone interact. energy: 0.388
local terms energy: -183.118148
where:
bonds (distance) C4'-P energy: -47.472
bonds (distance) P-C4' energy: -51.891
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1167.357248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.357248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.357248 (E_RNA)
where:
Base-Base interactions energy: -821.831
where: short stacking energy: -349.614
Base-Backbone interact. energy: 0.846
local terms energy: -346.372403
where:
bonds (distance) C4'-P energy: -69.760
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -50.175
tors. eta vs tors. theta energy: -93.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1124.025668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.025668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.025668 (E_RNA)
where:
Base-Base interactions energy: -794.802
where: short stacking energy: -346.409
Base-Backbone interact. energy: -0.535
local terms energy: -328.688265
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -67.963
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: -102.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1058.188444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.188444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.188444 (E_RNA)
where:
Base-Base interactions energy: -747.389
where: short stacking energy: -324.517
Base-Backbone interact. energy: 0.154
local terms energy: -310.953468
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -65.664
flat angles C4'-P-C4' energy: -60.278
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -92.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -976.997442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.997442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.997442 (E_RNA)
where:
Base-Base interactions energy: -677.469
where: short stacking energy: -292.815
Base-Backbone interact. energy: -0.167
local terms energy: -299.361663
where:
bonds (distance) C4'-P energy: -43.320
bonds (distance) P-C4' energy: -63.060
flat angles C4'-P-C4' energy: -68.777
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -84.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -978.631244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.631244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.631244 (E_RNA)
where:
Base-Base interactions energy: -693.767
where: short stacking energy: -305.883
Base-Backbone interact. energy: -0.889
local terms energy: -283.974572
where:
bonds (distance) C4'-P energy: -33.468
bonds (distance) P-C4' energy: -65.133
flat angles C4'-P-C4' energy: -60.202
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -88.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -949.815941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.815941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.815941 (E_RNA)
where:
Base-Base interactions energy: -651.255
where: short stacking energy: -268.106
Base-Backbone interact. energy: -0.792
local terms energy: -297.768562
where:
bonds (distance) C4'-P energy: -61.204
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -79.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -869.332299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.332299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.332299 (E_RNA)
where:
Base-Base interactions energy: -594.254
where: short stacking energy: -256.158
Base-Backbone interact. energy: -0.282
local terms energy: -274.796699
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -46.031
flat angles C4'-P-C4' energy: -60.572
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -69.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -777.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.963819 (E_RNA)
where:
Base-Base interactions energy: -511.637
where: short stacking energy: -223.689
Base-Backbone interact. energy: -1.187
local terms energy: -265.139562
where:
bonds (distance) C4'-P energy: -51.497
bonds (distance) P-C4' energy: -59.534
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: -67.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -561.078187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.078187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.078187 (E_RNA)
where:
Base-Base interactions energy: -344.452
where: short stacking energy: -163.994
Base-Backbone interact. energy: -1.960
local terms energy: -214.666137
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -54.030
flat angles C4'-P-C4' energy: -46.560
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -30.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -459.937247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.937247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.937247 (E_RNA)
where:
Base-Base interactions energy: -266.973
where: short stacking energy: -149.347
Base-Backbone interact. energy: 4.471
local terms energy: -197.435114
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -52.815
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1170.311711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.311711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.311711 (E_RNA)
where:
Base-Base interactions energy: -832.426
where: short stacking energy: -351.296
Base-Backbone interact. energy: -1.125
local terms energy: -336.761034
where:
bonds (distance) C4'-P energy: -54.235
bonds (distance) P-C4' energy: -67.285
flat angles C4'-P-C4' energy: -71.398
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -104.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1119.782325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.782325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.782325 (E_RNA)
where:
Base-Base interactions energy: -794.478
where: short stacking energy: -344.539
Base-Backbone interact. energy: -0.979
local terms energy: -324.325330
where:
bonds (distance) C4'-P energy: -58.427
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -67.763
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -93.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1071.874424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.874424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.874424 (E_RNA)
where:
Base-Base interactions energy: -754.722
where: short stacking energy: -316.287
Base-Backbone interact. energy: -1.609
local terms energy: -315.543471
where:
bonds (distance) C4'-P energy: -53.792
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -61.866
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1008.603693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.603693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.603693 (E_RNA)
where:
Base-Base interactions energy: -696.645
where: short stacking energy: -308.425
Base-Backbone interact. energy: -1.331
local terms energy: -310.627721
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -65.734
flat angles C4'-P-C4' energy: -61.635
flat angles P-C4'-P energy: -40.484
tors. eta vs tors. theta energy: -85.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -951.760052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.760052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.760052 (E_RNA)
where:
Base-Base interactions energy: -645.219
where: short stacking energy: -292.571
Base-Backbone interact. energy: -0.158
local terms energy: -306.382426
where:
bonds (distance) C4'-P energy: -54.527
bonds (distance) P-C4' energy: -59.296
flat angles C4'-P-C4' energy: -65.903
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -88.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -931.146225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.146225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.146225 (E_RNA)
where:
Base-Base interactions energy: -641.735
where: short stacking energy: -263.956
Base-Backbone interact. energy: -0.237
local terms energy: -289.174517
where:
bonds (distance) C4'-P energy: -53.125
bonds (distance) P-C4' energy: -50.850
flat angles C4'-P-C4' energy: -72.541
flat angles P-C4'-P energy: -41.030
tors. eta vs tors. theta energy: -71.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -863.152638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.152638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.152638 (E_RNA)
where:
Base-Base interactions energy: -600.586
where: short stacking energy: -270.069
Base-Backbone interact. energy: -1.377
local terms energy: -261.190416
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -65.115
flat angles P-C4'-P energy: -33.949
tors. eta vs tors. theta energy: -64.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -803.876959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.876959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.876959 (E_RNA)
where:
Base-Base interactions energy: -534.143
where: short stacking energy: -246.672
Base-Backbone interact. energy: -0.129
local terms energy: -269.605176
where:
bonds (distance) C4'-P energy: -47.889
bonds (distance) P-C4' energy: -61.750
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -64.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -546.220702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.220702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.220702 (E_RNA)
where:
Base-Base interactions energy: -334.881
where: short stacking energy: -156.286
Base-Backbone interact. energy: -1.183
local terms energy: -210.156810
where:
bonds (distance) C4'-P energy: -48.356
bonds (distance) P-C4' energy: -49.173
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -330.598694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.598694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.598694 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -95.129
Base-Backbone interact. energy: 0.582
local terms energy: -200.035830
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1174.661174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.661174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.661174 (E_RNA)
where:
Base-Base interactions energy: -819.575
where: short stacking energy: -351.875
Base-Backbone interact. energy: -1.044
local terms energy: -354.041822
where:
bonds (distance) C4'-P energy: -67.717
bonds (distance) P-C4' energy: -67.944
flat angles C4'-P-C4' energy: -70.755
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -98.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1141.364624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.364624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.364624 (E_RNA)
where:
Base-Base interactions energy: -803.620
where: short stacking energy: -341.934
Base-Backbone interact. energy: -0.608
local terms energy: -337.137366
where:
bonds (distance) C4'-P energy: -58.288
bonds (distance) P-C4' energy: -61.171
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -46.148
tors. eta vs tors. theta energy: -104.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1048.722803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.722803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.722803 (E_RNA)
where:
Base-Base interactions energy: -738.092
where: short stacking energy: -319.030
Base-Backbone interact. energy: -1.231
local terms energy: -309.399468
where:
bonds (distance) C4'-P energy: -54.385
bonds (distance) P-C4' energy: -53.587
flat angles C4'-P-C4' energy: -65.695
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -91.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1009.631002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.631002 (E_RNA)
where:
Base-Base interactions energy: -696.000
where: short stacking energy: -282.366
Base-Backbone interact. energy: -0.739
local terms energy: -312.892130
where:
bonds (distance) C4'-P energy: -63.997
bonds (distance) P-C4' energy: -61.661
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -47.100
tors. eta vs tors. theta energy: -83.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -942.743358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.743358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.743358 (E_RNA)
where:
Base-Base interactions energy: -642.894
where: short stacking energy: -268.741
Base-Backbone interact. energy: -2.198
local terms energy: -297.650785
where:
bonds (distance) C4'-P energy: -65.646
bonds (distance) P-C4' energy: -53.998
flat angles C4'-P-C4' energy: -60.806
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -81.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -965.707116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.707116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.707116 (E_RNA)
where:
Base-Base interactions energy: -671.457
where: short stacking energy: -300.081
Base-Backbone interact. energy: -0.420
local terms energy: -293.830133
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -83.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -877.986142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.986142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.986142 (E_RNA)
where:
Base-Base interactions energy: -602.131
where: short stacking energy: -251.847
Base-Backbone interact. energy: -2.257
local terms energy: -273.598222
where:
bonds (distance) C4'-P energy: -55.034
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -60.070
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -63.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -789.173681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.173681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.173681 (E_RNA)
where:
Base-Base interactions energy: -544.223
where: short stacking energy: -243.646
Base-Backbone interact. energy: -1.439
local terms energy: -243.511645
where:
bonds (distance) C4'-P energy: -54.286
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -41.299
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -64.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -552.865876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.865876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.865876 (E_RNA)
where:
Base-Base interactions energy: -338.443
where: short stacking energy: -151.678
Base-Backbone interact. energy: -1.834
local terms energy: -212.588899
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -49.106
flat angles P-C4'-P energy: -32.275
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -285.786731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.786731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.786731 (E_RNA)
where:
Base-Base interactions energy: -121.444
where: short stacking energy: -63.487
Base-Backbone interact. energy: -1.926
local terms energy: -162.416546
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: 13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1171.129307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.129307 (E_RNA)
where:
Base-Base interactions energy: -815.329
where: short stacking energy: -349.420
Base-Backbone interact. energy: -3.066
local terms energy: -352.735021
where:
bonds (distance) C4'-P energy: -62.454
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -74.621
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -96.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1128.156574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.156574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.156574 (E_RNA)
where:
Base-Base interactions energy: -791.618
where: short stacking energy: -339.706
Base-Backbone interact. energy: -0.690
local terms energy: -335.848900
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -64.769
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -102.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1067.693906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.693906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.693906 (E_RNA)
where:
Base-Base interactions energy: -750.798
where: short stacking energy: -305.501
Base-Backbone interact. energy: -1.806
local terms energy: -315.090250
where:
bonds (distance) C4'-P energy: -62.936
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -63.782
flat angles P-C4'-P energy: -50.057
tors. eta vs tors. theta energy: -83.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1000.805755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.805755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.805755 (E_RNA)
where:
Base-Base interactions energy: -700.432
where: short stacking energy: -295.709
Base-Backbone interact. energy: -1.197
local terms energy: -299.176597
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -47.070
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -85.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -960.181715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.181715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.181715 (E_RNA)
where:
Base-Base interactions energy: -654.974
where: short stacking energy: -307.233
Base-Backbone interact. energy: -0.638
local terms energy: -304.569398
where:
bonds (distance) C4'-P energy: -60.739
bonds (distance) P-C4' energy: -48.632
flat angles C4'-P-C4' energy: -63.097
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -89.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -957.466705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.466705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.466705 (E_RNA)
where:
Base-Base interactions energy: -649.693
where: short stacking energy: -296.024
Base-Backbone interact. energy: -0.903
local terms energy: -306.869829
where:
bonds (distance) C4'-P energy: -55.911
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -62.539
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -91.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -884.315509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.315509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.315509 (E_RNA)
where:
Base-Base interactions energy: -630.993
where: short stacking energy: -259.640
Base-Backbone interact. energy: 0.329
local terms energy: -253.651262
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -51.381
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -59.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -802.194356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.194356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.194356 (E_RNA)
where:
Base-Base interactions energy: -544.547
where: short stacking energy: -247.257
Base-Backbone interact. energy: -1.484
local terms energy: -256.163236
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -30.459
tors. eta vs tors. theta energy: -63.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -541.089366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.089366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.089366 (E_RNA)
where:
Base-Base interactions energy: -321.014
where: short stacking energy: -163.665
Base-Backbone interact. energy: 1.905
local terms energy: -221.980350
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -49.097
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -329.893647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.893647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.893647 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -115.544
Base-Backbone interact. energy: 4.602
local terms energy: -182.583370
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -56.810
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1159.198887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.198887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.198887 (E_RNA)
where:
Base-Base interactions energy: -830.650
where: short stacking energy: -348.674
Base-Backbone interact. energy: -0.839
local terms energy: -327.709530
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -58.085
flat angles C4'-P-C4' energy: -66.559
flat angles P-C4'-P energy: -44.702
tors. eta vs tors. theta energy: -98.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1108.820909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.820909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.820909 (E_RNA)
where:
Base-Base interactions energy: -783.844
where: short stacking energy: -326.242
Base-Backbone interact. energy: -0.819
local terms energy: -324.158145
where:
bonds (distance) C4'-P energy: -68.904
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -100.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1024.086000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.086000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.086000 (E_RNA)
where:
Base-Base interactions energy: -725.922
where: short stacking energy: -293.702
Base-Backbone interact. energy: -0.208
local terms energy: -297.956047
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -81.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1005.316893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.316893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.316893 (E_RNA)
where:
Base-Base interactions energy: -680.864
where: short stacking energy: -295.404
Base-Backbone interact. energy: -1.689
local terms energy: -322.763378
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -69.295
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -81.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -945.529860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.529860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.529860 (E_RNA)
where:
Base-Base interactions energy: -651.826
where: short stacking energy: -296.937
Base-Backbone interact. energy: 0.085
local terms energy: -293.788994
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -61.540
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -76.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -942.744021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.744021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.744021 (E_RNA)
where:
Base-Base interactions energy: -650.132
where: short stacking energy: -285.163
Base-Backbone interact. energy: -2.258
local terms energy: -290.354191
where:
bonds (distance) C4'-P energy: -53.540
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -58.900
flat angles P-C4'-P energy: -38.916
tors. eta vs tors. theta energy: -91.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -866.631763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.631763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.631763 (E_RNA)
where:
Base-Base interactions energy: -599.463
where: short stacking energy: -230.307
Base-Backbone interact. energy: -1.156
local terms energy: -266.012825
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -60.111
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -60.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -793.447378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.447378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.447378 (E_RNA)
where:
Base-Base interactions energy: -538.288
where: short stacking energy: -236.288
Base-Backbone interact. energy: -0.780
local terms energy: -254.378947
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -39.784
tors. eta vs tors. theta energy: -54.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -520.464716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.464716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.464716 (E_RNA)
where:
Base-Base interactions energy: -306.559
where: short stacking energy: -138.601
Base-Backbone interact. energy: -1.614
local terms energy: -212.292227
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -281.840745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.840745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.840745 (E_RNA)
where:
Base-Base interactions energy: -106.903
where: short stacking energy: -84.185
Base-Backbone interact. energy: -0.662
local terms energy: -174.275747
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -51.560
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1191.431126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.431126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.431126 (E_RNA)
where:
Base-Base interactions energy: -850.586
where: short stacking energy: -350.578
Base-Backbone interact. energy: 0.479
local terms energy: -341.324690
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -100.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1124.607347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.607347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.607347 (E_RNA)
where:
Base-Base interactions energy: -787.811
where: short stacking energy: -330.015
Base-Backbone interact. energy: -0.822
local terms energy: -335.974221
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -70.290
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -100.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1055.054147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.054147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.054147 (E_RNA)
where:
Base-Base interactions energy: -741.563
where: short stacking energy: -317.557
Base-Backbone interact. energy: -1.028
local terms energy: -312.462832
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -67.135
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -87.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1009.949238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.949238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.949238 (E_RNA)
where:
Base-Base interactions energy: -688.807
where: short stacking energy: -309.271
Base-Backbone interact. energy: 1.949
local terms energy: -323.090587
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -87.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -951.063078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.063078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.063078 (E_RNA)
where:
Base-Base interactions energy: -670.217
where: short stacking energy: -293.143
Base-Backbone interact. energy: -0.518
local terms energy: -280.327806
where:
bonds (distance) C4'-P energy: -52.430
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -39.732
tors. eta vs tors. theta energy: -80.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -953.893551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.893551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.893551 (E_RNA)
where:
Base-Base interactions energy: -676.218
where: short stacking energy: -288.761
Base-Backbone interact. energy: -0.935
local terms energy: -276.740309
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -82.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -872.150529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.150529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.150529 (E_RNA)
where:
Base-Base interactions energy: -602.002
where: short stacking energy: -244.643
Base-Backbone interact. energy: -0.887
local terms energy: -269.260994
where:
bonds (distance) C4'-P energy: -44.738
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -69.140
flat angles P-C4'-P energy: -37.767
tors. eta vs tors. theta energy: -64.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -797.004382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.004382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.004382 (E_RNA)
where:
Base-Base interactions energy: -531.535
where: short stacking energy: -226.168
Base-Backbone interact. energy: -1.898
local terms energy: -263.571335
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -59.002
flat angles C4'-P-C4' energy: -52.555
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -59.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -582.161199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.161199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.161199 (E_RNA)
where:
Base-Base interactions energy: -367.798
where: short stacking energy: -167.390
Base-Backbone interact. energy: -0.726
local terms energy: -213.636830
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -52.400
flat angles C4'-P-C4' energy: -48.236
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -30.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -289.440260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.440260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.440260 (E_RNA)
where:
Base-Base interactions energy: -113.021
where: short stacking energy: -86.212
Base-Backbone interact. energy: -0.933
local terms energy: -175.486081
where:
bonds (distance) C4'-P energy: -55.733
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1167.902282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.902282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.902282 (E_RNA)
where:
Base-Base interactions energy: -839.027
where: short stacking energy: -360.237
Base-Backbone interact. energy: 0.213
local terms energy: -329.088674
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -55.355
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -102.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1123.719810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.719810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.719810 (E_RNA)
where:
Base-Base interactions energy: -778.441
where: short stacking energy: -332.230
Base-Backbone interact. energy: -1.356
local terms energy: -343.922656
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -60.174
flat angles C4'-P-C4' energy: -73.472
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -101.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1057.401175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.401175 (E_RNA)
where:
Base-Base interactions energy: -733.638
where: short stacking energy: -291.584
Base-Backbone interact. energy: -1.211
local terms energy: -322.552030
where:
bonds (distance) C4'-P energy: -61.792
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -67.525
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -81.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1008.717938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.717938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.717938 (E_RNA)
where:
Base-Base interactions energy: -688.898
where: short stacking energy: -303.021
Base-Backbone interact. energy: -0.950
local terms energy: -318.870414
where:
bonds (distance) C4'-P energy: -61.449
bonds (distance) P-C4' energy: -64.191
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -80.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -946.354045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.354045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.354045 (E_RNA)
where:
Base-Base interactions energy: -650.664
where: short stacking energy: -280.819
Base-Backbone interact. energy: -0.885
local terms energy: -294.805166
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -54.288
flat angles C4'-P-C4' energy: -62.203
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -76.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -942.095901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.095901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.095901 (E_RNA)
where:
Base-Base interactions energy: -649.911
where: short stacking energy: -291.779
Base-Backbone interact. energy: -0.177
local terms energy: -292.008548
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -65.149
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -84.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -865.609262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.609262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.609262 (E_RNA)
where:
Base-Base interactions energy: -594.865
where: short stacking energy: -253.889
Base-Backbone interact. energy: 1.807
local terms energy: -272.550769
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -56.796
flat angles C4'-P-C4' energy: -59.300
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -68.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -730.339823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.339823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.339823 (E_RNA)
where:
Base-Base interactions energy: -493.443
where: short stacking energy: -218.822
Base-Backbone interact. energy: -0.574
local terms energy: -236.322348
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -49.490
flat angles C4'-P-C4' energy: -55.921
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -62.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -517.796991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.796991 (E_RNA)
where:
Base-Base interactions energy: -308.480
where: short stacking energy: -149.040
Base-Backbone interact. energy: 2.728
local terms energy: -212.044531
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -62.009
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -289.080205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.080205 (E_RNA)
where:
Base-Base interactions energy: -115.862
where: short stacking energy: -88.478
Base-Backbone interact. energy: -0.399
local terms energy: -172.819151
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1186.207698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.207698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.207698 (E_RNA)
where:
Base-Base interactions energy: -843.010
where: short stacking energy: -359.371
Base-Backbone interact. energy: -0.558
local terms energy: -342.639753
where:
bonds (distance) C4'-P energy: -65.283
bonds (distance) P-C4' energy: -64.158
flat angles C4'-P-C4' energy: -68.832
flat angles P-C4'-P energy: -43.408
tors. eta vs tors. theta energy: -100.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1134.236896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.236896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.236896 (E_RNA)
where:
Base-Base interactions energy: -812.500
where: short stacking energy: -351.560
Base-Backbone interact. energy: -0.945
local terms energy: -320.791211
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -66.947
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -102.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1071.778279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.778279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.778279 (E_RNA)
where:
Base-Base interactions energy: -783.712
where: short stacking energy: -322.290
Base-Backbone interact. energy: -1.489
local terms energy: -286.577127
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -85.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1025.960818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.960818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.960818 (E_RNA)
where:
Base-Base interactions energy: -715.830
where: short stacking energy: -313.374
Base-Backbone interact. energy: -1.430
local terms energy: -308.700270
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -52.529
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -42.136
tors. eta vs tors. theta energy: -93.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -967.321385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.321385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.321385 (E_RNA)
where:
Base-Base interactions energy: -667.277
where: short stacking energy: -291.980
Base-Backbone interact. energy: -0.077
local terms energy: -299.967697
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -65.314
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -83.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -937.146797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.146797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.146797 (E_RNA)
where:
Base-Base interactions energy: -652.777
where: short stacking energy: -278.280
Base-Backbone interact. energy: -0.750
local terms energy: -283.619658
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -47.083
flat angles C4'-P-C4' energy: -65.739
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -77.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -864.022314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.022314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.022314 (E_RNA)
where:
Base-Base interactions energy: -596.195
where: short stacking energy: -249.198
Base-Backbone interact. energy: -1.376
local terms energy: -266.451082
where:
bonds (distance) C4'-P energy: -52.821
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -62.440
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -59.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -775.509352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.509352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.509352 (E_RNA)
where:
Base-Base interactions energy: -524.397
where: short stacking energy: -231.434
Base-Backbone interact. energy: -1.555
local terms energy: -249.557432
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -42.521
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -515.694580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.694580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.694580 (E_RNA)
where:
Base-Base interactions energy: -307.881
where: short stacking energy: -154.942
Base-Backbone interact. energy: 0.513
local terms energy: -208.326373
where:
bonds (distance) C4'-P energy: -58.317
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -54.289
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -258.105244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.105244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.105244 (E_RNA)
where:
Base-Base interactions energy: -80.611
where: short stacking energy: -56.338
Base-Backbone interact. energy: 6.662
local terms energy: -184.156307
where:
bonds (distance) C4'-P energy: -53.927
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -54.313
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: 19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1197.603386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.603386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.603386 (E_RNA)
where:
Base-Base interactions energy: -861.013
where: short stacking energy: -369.686
Base-Backbone interact. energy: -0.484
local terms energy: -336.106141
where:
bonds (distance) C4'-P energy: -59.126
bonds (distance) P-C4' energy: -67.155
flat angles C4'-P-C4' energy: -70.694
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -100.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1100.057460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.057460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.057460 (E_RNA)
where:
Base-Base interactions energy: -756.960
where: short stacking energy: -330.227
Base-Backbone interact. energy: -0.752
local terms energy: -342.345431
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -68.556
flat angles C4'-P-C4' energy: -66.111
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -94.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1063.826623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.826623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.826623 (E_RNA)
where:
Base-Base interactions energy: -744.051
where: short stacking energy: -299.053
Base-Backbone interact. energy: -1.317
local terms energy: -318.459263
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -60.137
flat angles C4'-P-C4' energy: -69.188
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1018.847710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.847710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.847710 (E_RNA)
where:
Base-Base interactions energy: -708.784
where: short stacking energy: -309.445
Base-Backbone interact. energy: -0.272
local terms energy: -309.791982
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -84.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -971.708987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.708987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.708987 (E_RNA)
where:
Base-Base interactions energy: -675.730
where: short stacking energy: -286.879
Base-Backbone interact. energy: 0.911
local terms energy: -296.889562
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -65.431
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -931.650150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.650150 (E_RNA)
where:
Base-Base interactions energy: -657.055
where: short stacking energy: -276.733
Base-Backbone interact. energy: -1.089
local terms energy: -273.505978
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -26.410
tors. eta vs tors. theta energy: -80.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -792.614336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.614336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.614336 (E_RNA)
where:
Base-Base interactions energy: -525.105
where: short stacking energy: -232.711
Base-Backbone interact. energy: 2.644
local terms energy: -270.153620
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -58.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -853.142117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.142117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.142117 (E_RNA)
where:
Base-Base interactions energy: -608.297
where: short stacking energy: -262.683
Base-Backbone interact. energy: -0.565
local terms energy: -244.279281
where:
bonds (distance) C4'-P energy: -54.762
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -56.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -512.885734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.885734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.885734 (E_RNA)
where:
Base-Base interactions energy: -322.319
where: short stacking energy: -157.203
Base-Backbone interact. energy: -1.650
local terms energy: -188.916298
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -55.791
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -28.680
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -252.272431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.272431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.272431 (E_RNA)
where:
Base-Base interactions energy: -104.597
where: short stacking energy: -83.588
Base-Backbone interact. energy: 1.923
local terms energy: -149.598243
where:
bonds (distance) C4'-P energy: -43.924
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -42.965
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1198.023560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.023560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.023560 (E_RNA)
where:
Base-Base interactions energy: -861.764
where: short stacking energy: -369.864
Base-Backbone interact. energy: -0.998
local terms energy: -335.261813
where:
bonds (distance) C4'-P energy: -56.279
bonds (distance) P-C4' energy: -63.357
flat angles C4'-P-C4' energy: -70.708
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: -102.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1066.252023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.252023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.252023 (E_RNA)
where:
Base-Base interactions energy: -759.165
where: short stacking energy: -308.403
Base-Backbone interact. energy: -0.885
local terms energy: -306.201536
where:
bonds (distance) C4'-P energy: -57.767
bonds (distance) P-C4' energy: -58.923
flat angles C4'-P-C4' energy: -65.726
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -86.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1101.821126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.821126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.821126 (E_RNA)
where:
Base-Base interactions energy: -780.420
where: short stacking energy: -347.879
Base-Backbone interact. energy: -1.483
local terms energy: -319.917898
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -57.639
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -104.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1011.095487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.095487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.095487 (E_RNA)
where:
Base-Base interactions energy: -702.140
where: short stacking energy: -299.261
Base-Backbone interact. energy: -0.936
local terms energy: -308.019184
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -64.704
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -83.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -983.599355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.599355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.599355 (E_RNA)
where:
Base-Base interactions energy: -691.920
where: short stacking energy: -286.209
Base-Backbone interact. energy: -1.255
local terms energy: -290.423808
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -78.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -932.930456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.930456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.930456 (E_RNA)
where:
Base-Base interactions energy: -644.186
where: short stacking energy: -279.637
Base-Backbone interact. energy: -2.017
local terms energy: -286.727959
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -68.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -796.280870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.280870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.280870 (E_RNA)
where:
Base-Base interactions energy: -536.712
where: short stacking energy: -250.596
Base-Backbone interact. energy: -0.187
local terms energy: -259.380946
where:
bonds (distance) C4'-P energy: -46.364
bonds (distance) P-C4' energy: -46.216
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -66.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -849.113487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.113487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.113487 (E_RNA)
where:
Base-Base interactions energy: -585.099
where: short stacking energy: -237.128
Base-Backbone interact. energy: -0.820
local terms energy: -263.193929
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -57.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -502.932311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.932311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.932311 (E_RNA)
where:
Base-Base interactions energy: -325.980
where: short stacking energy: -152.644
Base-Backbone interact. energy: 0.385
local terms energy: -177.337444
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -289.758551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.758551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.758551 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.810
local terms energy: -183.675295
where:
bonds (distance) C4'-P energy: -55.275
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1185.728570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.728570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.728570 (E_RNA)
where:
Base-Base interactions energy: -856.102
where: short stacking energy: -356.603
Base-Backbone interact. energy: -1.367
local terms energy: -328.259886
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -72.567
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -96.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1074.312520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.312520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.312520 (E_RNA)
where:
Base-Base interactions energy: -753.057
where: short stacking energy: -313.339
Base-Backbone interact. energy: 0.173
local terms energy: -321.428676
where:
bonds (distance) C4'-P energy: -58.223
bonds (distance) P-C4' energy: -64.484
flat angles C4'-P-C4' energy: -66.068
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -86.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1101.184639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.184639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.184639 (E_RNA)
where:
Base-Base interactions energy: -785.310
where: short stacking energy: -328.376
Base-Backbone interact. energy: -0.326
local terms energy: -315.548553
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -97.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1023.526674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.526674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.526674 (E_RNA)
where:
Base-Base interactions energy: -708.355
where: short stacking energy: -300.868
Base-Backbone interact. energy: -0.726
local terms energy: -314.445287
where:
bonds (distance) C4'-P energy: -58.811
bonds (distance) P-C4' energy: -55.995
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -90.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -963.409384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.409384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.409384 (E_RNA)
where:
Base-Base interactions energy: -676.831
where: short stacking energy: -274.724
Base-Backbone interact. energy: 1.235
local terms energy: -287.813168
where:
bonds (distance) C4'-P energy: -55.644
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -65.609
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -70.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -933.712768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.712768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.712768 (E_RNA)
where:
Base-Base interactions energy: -635.140
where: short stacking energy: -280.361
Base-Backbone interact. energy: -0.979
local terms energy: -297.593452
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -65.754
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -77.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -858.057170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.057170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.057170 (E_RNA)
where:
Base-Base interactions energy: -598.944
where: short stacking energy: -260.338
Base-Backbone interact. energy: -1.442
local terms energy: -257.671265
where:
bonds (distance) C4'-P energy: -38.154
bonds (distance) P-C4' energy: -44.704
flat angles C4'-P-C4' energy: -57.898
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -73.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -750.761086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.761086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.761086 (E_RNA)
where:
Base-Base interactions energy: -508.373
where: short stacking energy: -213.557
Base-Backbone interact. energy: 0.243
local terms energy: -242.631564
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -47.700
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -48.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -545.192612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.192612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.192612 (E_RNA)
where:
Base-Base interactions energy: -333.205
where: short stacking energy: -142.763
Base-Backbone interact. energy: -0.100
local terms energy: -211.887321
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -51.965
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -22.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -276.812564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.812564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.812564 (E_RNA)
where:
Base-Base interactions energy: -97.700
where: short stacking energy: -79.226
Base-Backbone interact. energy: -1.147
local terms energy: -177.965153
where:
bonds (distance) C4'-P energy: -50.156
bonds (distance) P-C4' energy: -66.998
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: 10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1195.364170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.364170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.364170 (E_RNA)
where:
Base-Base interactions energy: -852.375
where: short stacking energy: -351.788
Base-Backbone interact. energy: -0.635
local terms energy: -342.353797
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -64.281
flat angles C4'-P-C4' energy: -73.240
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -98.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1071.537971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.537971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.537971 (E_RNA)
where:
Base-Base interactions energy: -761.430
where: short stacking energy: -308.026
Base-Backbone interact. energy: 0.134
local terms energy: -310.241434
where:
bonds (distance) C4'-P energy: -63.565
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -44.734
tors. eta vs tors. theta energy: -80.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1104.933399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.933399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.933399 (E_RNA)
where:
Base-Base interactions energy: -776.944
where: short stacking energy: -329.243
Base-Backbone interact. energy: -2.081
local terms energy: -325.908646
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -65.532
flat angles C4'-P-C4' energy: -62.048
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -101.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1008.220836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.220836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.220836 (E_RNA)
where:
Base-Base interactions energy: -696.301
where: short stacking energy: -308.698
Base-Backbone interact. energy: 2.496
local terms energy: -314.415129
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -54.953
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -87.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -962.268376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.268376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.268376 (E_RNA)
where:
Base-Base interactions energy: -665.371
where: short stacking energy: -287.529
Base-Backbone interact. energy: -1.239
local terms energy: -295.657841
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -60.370
flat angles C4'-P-C4' energy: -67.846
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -82.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -940.035529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.035529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.035529 (E_RNA)
where:
Base-Base interactions energy: -658.948
where: short stacking energy: -277.403
Base-Backbone interact. energy: -0.677
local terms energy: -280.410430
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -62.990
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -83.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -869.252706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.252706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.252706 (E_RNA)
where:
Base-Base interactions energy: -611.626
where: short stacking energy: -257.661
Base-Backbone interact. energy: -0.597
local terms energy: -257.029378
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -68.461
flat angles P-C4'-P energy: -28.992
tors. eta vs tors. theta energy: -57.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -774.063768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.063768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.063768 (E_RNA)
where:
Base-Base interactions energy: -532.082
where: short stacking energy: -231.715
Base-Backbone interact. energy: -2.988
local terms energy: -238.993563
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: -49.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -566.439806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.439806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.439806 (E_RNA)
where:
Base-Base interactions energy: -338.645
where: short stacking energy: -169.242
Base-Backbone interact. energy: -0.263
local terms energy: -227.532118
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -46.998
flat angles C4'-P-C4' energy: -42.212
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -44.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -265.744970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.744970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.744970 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -97.582
Base-Backbone interact. energy: 0.001
local terms energy: -163.713905
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -48.960
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1174.930139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.930139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.930139 (E_RNA)
where:
Base-Base interactions energy: -835.607
where: short stacking energy: -361.237
Base-Backbone interact. energy: -0.179
local terms energy: -339.144058
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -66.335
flat angles C4'-P-C4' energy: -75.780
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -96.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1086.049511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.049511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.049511 (E_RNA)
where:
Base-Base interactions energy: -772.241
where: short stacking energy: -320.339
Base-Backbone interact. energy: -0.888
local terms energy: -312.920230
where:
bonds (distance) C4'-P energy: -60.513
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -68.226
flat angles P-C4'-P energy: -49.923
tors. eta vs tors. theta energy: -84.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1102.880247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.880247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.880247 (E_RNA)
where:
Base-Base interactions energy: -790.395
where: short stacking energy: -324.309
Base-Backbone interact. energy: -0.003
local terms energy: -312.482166
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -67.841
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -92.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1021.617175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.617175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.617175 (E_RNA)
where:
Base-Base interactions energy: -715.145
where: short stacking energy: -306.834
Base-Backbone interact. energy: -1.011
local terms energy: -305.460957
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -52.520
flat angles C4'-P-C4' energy: -71.666
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -88.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -955.037967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.037967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.037967 (E_RNA)
where:
Base-Base interactions energy: -662.987
where: short stacking energy: -274.038
Base-Backbone interact. energy: -0.923
local terms energy: -291.127816
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -80.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -923.063980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.063980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.063980 (E_RNA)
where:
Base-Base interactions energy: -633.495
where: short stacking energy: -288.508
Base-Backbone interact. energy: -2.399
local terms energy: -287.169710
where:
bonds (distance) C4'-P energy: -53.319
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -67.776
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -79.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -882.482557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.482557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.482557 (E_RNA)
where:
Base-Base interactions energy: -624.094
where: short stacking energy: -264.754
Base-Backbone interact. energy: -0.940
local terms energy: -257.448755
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -60.011
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -63.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -738.562392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.562392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.562392 (E_RNA)
where:
Base-Base interactions energy: -511.236
where: short stacking energy: -211.303
Base-Backbone interact. energy: 0.606
local terms energy: -227.932931
where:
bonds (distance) C4'-P energy: -44.072
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -535.635146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.635146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.635146 (E_RNA)
where:
Base-Base interactions energy: -330.573
where: short stacking energy: -165.417
Base-Backbone interact. energy: 0.497
local terms energy: -205.558636
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -51.428
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -366.245533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.245533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.245533 (E_RNA)
where:
Base-Base interactions energy: -197.634
where: short stacking energy: -114.373
Base-Backbone interact. energy: -1.484
local terms energy: -167.127025
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -42.687
flat angles C4'-P-C4' energy: -41.490
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1166.094808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.094808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.094808 (E_RNA)
where:
Base-Base interactions energy: -835.173
where: short stacking energy: -336.993
Base-Backbone interact. energy: -0.943
local terms energy: -329.978007
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -62.189
flat angles C4'-P-C4' energy: -66.785
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -93.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1124.757197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.757197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.757197 (E_RNA)
where:
Base-Base interactions energy: -779.052
where: short stacking energy: -342.524
Base-Backbone interact. energy: -0.893
local terms energy: -344.812394
where:
bonds (distance) C4'-P energy: -61.294
bonds (distance) P-C4' energy: -59.387
flat angles C4'-P-C4' energy: -71.720
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -105.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1051.370962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.370962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.370962 (E_RNA)
where:
Base-Base interactions energy: -749.365
where: short stacking energy: -306.418
Base-Backbone interact. energy: -2.036
local terms energy: -299.970292
where:
bonds (distance) C4'-P energy: -54.333
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -64.652
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -80.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1022.239372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.239372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.239372 (E_RNA)
where:
Base-Base interactions energy: -709.239
where: short stacking energy: -313.680
Base-Backbone interact. energy: 0.589
local terms energy: -313.589317
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -68.858
flat angles P-C4'-P energy: -38.731
tors. eta vs tors. theta energy: -95.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -957.430169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.430169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.430169 (E_RNA)
where:
Base-Base interactions energy: -658.285
where: short stacking energy: -302.174
Base-Backbone interact. energy: -1.758
local terms energy: -297.387660
where:
bonds (distance) C4'-P energy: -61.103
bonds (distance) P-C4' energy: -55.890
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -80.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -913.007164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.007164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.007164 (E_RNA)
where:
Base-Base interactions energy: -639.559
where: short stacking energy: -270.995
Base-Backbone interact. energy: -0.223
local terms energy: -273.224420
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -63.576
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -78.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -852.747161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.747161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.747161 (E_RNA)
where:
Base-Base interactions energy: -586.738
where: short stacking energy: -230.732
Base-Backbone interact. energy: -0.946
local terms energy: -265.063298
where:
bonds (distance) C4'-P energy: -51.743
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -779.859345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.859345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.859345 (E_RNA)
where:
Base-Base interactions energy: -528.282
where: short stacking energy: -230.585
Base-Backbone interact. energy: 0.319
local terms energy: -251.896422
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -55.030
flat angles C4'-P-C4' energy: -52.983
flat angles P-C4'-P energy: -38.286
tors. eta vs tors. theta energy: -51.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -596.814097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.814097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.814097 (E_RNA)
where:
Base-Base interactions energy: -387.964
where: short stacking energy: -166.962
Base-Backbone interact. energy: -0.341
local terms energy: -208.509758
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -413.322641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.322641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.322641 (E_RNA)
where:
Base-Base interactions energy: -237.001
where: short stacking energy: -120.852
Base-Backbone interact. energy: -0.867
local terms energy: -175.455039
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -44.961
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1179.270269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.270269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.270269 (E_RNA)
where:
Base-Base interactions energy: -848.693
where: short stacking energy: -354.393
Base-Backbone interact. energy: -0.802
local terms energy: -329.774729
where:
bonds (distance) C4'-P energy: -62.569
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -94.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1134.214744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.214744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.214744 (E_RNA)
where:
Base-Base interactions energy: -810.550
where: short stacking energy: -353.625
Base-Backbone interact. energy: -1.646
local terms energy: -322.018762
where:
bonds (distance) C4'-P energy: -68.673
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -68.431
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -102.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1060.397552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.397552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.397552 (E_RNA)
where:
Base-Base interactions energy: -749.610
where: short stacking energy: -314.295
Base-Backbone interact. energy: -1.393
local terms energy: -309.393868
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -65.404
flat angles P-C4'-P energy: -50.727
tors. eta vs tors. theta energy: -83.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1023.511550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.511550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.511550 (E_RNA)
where:
Base-Base interactions energy: -732.279
where: short stacking energy: -310.501
Base-Backbone interact. energy: -0.418
local terms energy: -290.814371
where:
bonds (distance) C4'-P energy: -57.518
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -64.332
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -83.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -961.313064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.313064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.313064 (E_RNA)
where:
Base-Base interactions energy: -652.395
where: short stacking energy: -278.665
Base-Backbone interact. energy: -1.272
local terms energy: -307.646459
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -62.128
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -87.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -926.090748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.090748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.090748 (E_RNA)
where:
Base-Base interactions energy: -633.516
where: short stacking energy: -263.259
Base-Backbone interact. energy: -1.792
local terms energy: -290.782845
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -65.705
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -862.756636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.756636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.756636 (E_RNA)
where:
Base-Base interactions energy: -599.669
where: short stacking energy: -233.568
Base-Backbone interact. energy: -0.641
local terms energy: -262.446631
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -64.007
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -42.787
tors. eta vs tors. theta energy: -57.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -775.496323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.496323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.496323 (E_RNA)
where:
Base-Base interactions energy: -521.720
where: short stacking energy: -225.942
Base-Backbone interact. energy: -0.902
local terms energy: -252.873693
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -53.303
flat angles C4'-P-C4' energy: -64.434
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -55.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -625.850733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.850733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.850733 (E_RNA)
where:
Base-Base interactions energy: -421.558
where: short stacking energy: -200.858
Base-Backbone interact. energy: 0.864
local terms energy: -205.156883
where:
bonds (distance) C4'-P energy: -48.534
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -44.673
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -425.574094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.574094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.574094 (E_RNA)
where:
Base-Base interactions energy: -259.914
where: short stacking energy: -142.853
Base-Backbone interact. energy: 0.130
local terms energy: -165.790362
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -41.034
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1186.701758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.701758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.701758 (E_RNA)
where:
Base-Base interactions energy: -850.078
where: short stacking energy: -354.551
Base-Backbone interact. energy: -1.919
local terms energy: -334.705547
where:
bonds (distance) C4'-P energy: -60.244
bonds (distance) P-C4' energy: -56.736
flat angles C4'-P-C4' energy: -75.273
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -96.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1129.468637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.468637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.468637 (E_RNA)
where:
Base-Base interactions energy: -804.546
where: short stacking energy: -341.230
Base-Backbone interact. energy: -0.627
local terms energy: -324.295690
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -43.480
tors. eta vs tors. theta energy: -101.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1057.406217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.406217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.406217 (E_RNA)
where:
Base-Base interactions energy: -756.434
where: short stacking energy: -318.488
Base-Backbone interact. energy: -1.309
local terms energy: -299.663576
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -82.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -970.216085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.216085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.216085 (E_RNA)
where:
Base-Base interactions energy: -662.128
where: short stacking energy: -286.423
Base-Backbone interact. energy: -0.133
local terms energy: -307.954845
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -66.094
flat angles P-C4'-P energy: -50.505
tors. eta vs tors. theta energy: -81.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1000.128042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.128042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.128042 (E_RNA)
where:
Base-Base interactions energy: -709.829
where: short stacking energy: -308.054
Base-Backbone interact. energy: -0.774
local terms energy: -289.525488
where:
bonds (distance) C4'-P energy: -49.161
bonds (distance) P-C4' energy: -57.228
flat angles C4'-P-C4' energy: -55.134
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -93.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -944.100804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.100804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.100804 (E_RNA)
where:
Base-Base interactions energy: -662.897
where: short stacking energy: -296.404
Base-Backbone interact. energy: -1.029
local terms energy: -280.174239
where:
bonds (distance) C4'-P energy: -51.223
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -83.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -877.697917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.697917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.697917 (E_RNA)
where:
Base-Base interactions energy: -599.849
where: short stacking energy: -259.473
Base-Backbone interact. energy: 1.103
local terms energy: -278.951975
where:
bonds (distance) C4'-P energy: -61.472
bonds (distance) P-C4' energy: -52.214
flat angles C4'-P-C4' energy: -59.595
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -67.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -763.762710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.762710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.762710 (E_RNA)
where:
Base-Base interactions energy: -534.364
where: short stacking energy: -229.673
Base-Backbone interact. energy: -1.469
local terms energy: -227.929922
where:
bonds (distance) C4'-P energy: -46.629
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -40.833
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -62.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -643.280070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.280070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.280070 (E_RNA)
where:
Base-Base interactions energy: -425.561
where: short stacking energy: -180.196
Base-Backbone interact. energy: 2.527
local terms energy: -220.246080
where:
bonds (distance) C4'-P energy: -50.199
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -41.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -520.350118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.350118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.350118 (E_RNA)
where:
Base-Base interactions energy: -342.193
where: short stacking energy: -127.283
Base-Backbone interact. energy: -4.510
local terms energy: -173.646951
where:
bonds (distance) C4'-P energy: -45.586
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -43.457
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1191.704709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.704709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.704709 (E_RNA)
where:
Base-Base interactions energy: -862.919
where: short stacking energy: -347.713
Base-Backbone interact. energy: -1.300
local terms energy: -327.485755
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -45.902
tors. eta vs tors. theta energy: -96.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1109.826980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.826980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.826980 (E_RNA)
where:
Base-Base interactions energy: -786.096
where: short stacking energy: -329.320
Base-Backbone interact. energy: -1.170
local terms energy: -322.561891
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -56.048
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -102.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1051.296161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.296161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.296161 (E_RNA)
where:
Base-Base interactions energy: -736.164
where: short stacking energy: -309.465
Base-Backbone interact. energy: -2.445
local terms energy: -312.687893
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -50.940
tors. eta vs tors. theta energy: -83.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -978.652147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.652147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.652147 (E_RNA)
where:
Base-Base interactions energy: -672.624
where: short stacking energy: -295.729
Base-Backbone interact. energy: -0.368
local terms energy: -305.659779
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -80.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -997.380846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.380846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.380846 (E_RNA)
where:
Base-Base interactions energy: -701.312
where: short stacking energy: -312.116
Base-Backbone interact. energy: -1.152
local terms energy: -294.916810
where:
bonds (distance) C4'-P energy: -45.605
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -85.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -937.057576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.057576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.057576 (E_RNA)
where:
Base-Base interactions energy: -643.101
where: short stacking energy: -284.012
Base-Backbone interact. energy: -1.162
local terms energy: -292.794909
where:
bonds (distance) C4'-P energy: -50.656
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -63.168
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -83.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -878.215892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.215892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.215892 (E_RNA)
where:
Base-Base interactions energy: -609.445
where: short stacking energy: -257.467
Base-Backbone interact. energy: -0.027
local terms energy: -268.743903
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -61.394
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -73.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -738.927538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.927538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.927538 (E_RNA)
where:
Base-Base interactions energy: -522.029
where: short stacking energy: -226.088
Base-Backbone interact. energy: -0.934
local terms energy: -215.964811
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -52.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -625.194725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.194725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.194725 (E_RNA)
where:
Base-Base interactions energy: -410.775
where: short stacking energy: -177.163
Base-Backbone interact. energy: 1.005
local terms energy: -215.424516
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -47.878
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -41.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -526.865912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.865912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.865912 (E_RNA)
where:
Base-Base interactions energy: -343.469
where: short stacking energy: -147.368
Base-Backbone interact. energy: 0.208
local terms energy: -183.604672
where:
bonds (distance) C4'-P energy: -60.518
bonds (distance) P-C4' energy: -33.790
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1192.034618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.034618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.034618 (E_RNA)
where:
Base-Base interactions energy: -857.132
where: short stacking energy: -360.878
Base-Backbone interact. energy: -1.351
local terms energy: -333.550971
where:
bonds (distance) C4'-P energy: -67.289
bonds (distance) P-C4' energy: -57.548
flat angles C4'-P-C4' energy: -69.029
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -98.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1118.205764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.205764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.205764 (E_RNA)
where:
Base-Base interactions energy: -811.296
where: short stacking energy: -343.383
Base-Backbone interact. energy: -0.988
local terms energy: -305.921210
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -65.572
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -102.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1085.947985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.947985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.947985 (E_RNA)
where:
Base-Base interactions energy: -763.862
where: short stacking energy: -312.254
Base-Backbone interact. energy: -1.342
local terms energy: -320.743410
where:
bonds (distance) C4'-P energy: -67.151
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -66.022
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -84.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -979.374223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.374223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.374223 (E_RNA)
where:
Base-Base interactions energy: -677.772
where: short stacking energy: -283.554
Base-Backbone interact. energy: -1.526
local terms energy: -300.075388
where:
bonds (distance) C4'-P energy: -56.562
bonds (distance) P-C4' energy: -58.555
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: -76.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -960.947321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.947321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.947321 (E_RNA)
where:
Base-Base interactions energy: -673.615
where: short stacking energy: -292.724
Base-Backbone interact. energy: -0.760
local terms energy: -286.571903
where:
bonds (distance) C4'-P energy: -57.297
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -33.863
tors. eta vs tors. theta energy: -82.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -929.948437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.948437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.948437 (E_RNA)
where:
Base-Base interactions energy: -658.817
where: short stacking energy: -291.482
Base-Backbone interact. energy: 0.035
local terms energy: -271.166870
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -85.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -874.726576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.726576 (E_RNA)
where:
Base-Base interactions energy: -602.248
where: short stacking energy: -265.124
Base-Backbone interact. energy: 0.523
local terms energy: -273.001502
where:
bonds (distance) C4'-P energy: -46.744
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -62.252
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -69.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -773.868410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.868410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.868410 (E_RNA)
where:
Base-Base interactions energy: -528.963
where: short stacking energy: -230.633
Base-Backbone interact. energy: -0.218
local terms energy: -244.687736
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -61.535
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -58.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -606.093465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.093465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.093465 (E_RNA)
where:
Base-Base interactions energy: -399.286
where: short stacking energy: -179.660
Base-Backbone interact. energy: 0.087
local terms energy: -206.893694
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -24.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -518.081816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.081816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.081816 (E_RNA)
where:
Base-Base interactions energy: -313.352
where: short stacking energy: -144.365
Base-Backbone interact. energy: -1.139
local terms energy: -203.590940
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -54.303
flat angles C4'-P-C4' energy: -50.843
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -27.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1181.639252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.639252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.639252 (E_RNA)
where:
Base-Base interactions energy: -830.129
where: short stacking energy: -362.507
Base-Backbone interact. energy: -0.757
local terms energy: -350.753203
where:
bonds (distance) C4'-P energy: -64.558
bonds (distance) P-C4' energy: -62.486
flat angles C4'-P-C4' energy: -69.375
flat angles P-C4'-P energy: -55.503
tors. eta vs tors. theta energy: -98.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1130.621849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.621849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.621849 (E_RNA)
where:
Base-Base interactions energy: -801.712
where: short stacking energy: -345.783
Base-Backbone interact. energy: -1.839
local terms energy: -327.070130
where:
bonds (distance) C4'-P energy: -55.005
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -96.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1088.755345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.755345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.755345 (E_RNA)
where:
Base-Base interactions energy: -777.292
where: short stacking energy: -314.712
Base-Backbone interact. energy: -2.012
local terms energy: -309.451106
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -69.412
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -87.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1003.674863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.674863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.674863 (E_RNA)
where:
Base-Base interactions energy: -704.513
where: short stacking energy: -301.351
Base-Backbone interact. energy: -1.712
local terms energy: -297.449801
where:
bonds (distance) C4'-P energy: -54.112
bonds (distance) P-C4' energy: -60.633
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -84.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -969.411204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.411204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.411204 (E_RNA)
where:
Base-Base interactions energy: -669.289
where: short stacking energy: -273.966
Base-Backbone interact. energy: -0.594
local terms energy: -299.528769
where:
bonds (distance) C4'-P energy: -58.123
bonds (distance) P-C4' energy: -56.429
flat angles C4'-P-C4' energy: -68.281
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -79.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -912.572990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.572990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.572990 (E_RNA)
where:
Base-Base interactions energy: -623.731
where: short stacking energy: -289.311
Base-Backbone interact. energy: -0.215
local terms energy: -288.626461
where:
bonds (distance) C4'-P energy: -49.781
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -65.539
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -75.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -798.419139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.419139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.419139 (E_RNA)
where:
Base-Base interactions energy: -542.174
where: short stacking energy: -235.646
Base-Backbone interact. energy: -0.960
local terms energy: -255.284442
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -53.366
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -64.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -851.310627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.310627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.310627 (E_RNA)
where:
Base-Base interactions energy: -589.109
where: short stacking energy: -250.195
Base-Backbone interact. energy: -0.625
local terms energy: -261.576448
where:
bonds (distance) C4'-P energy: -55.484
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -62.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -627.824421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.824421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.824421 (E_RNA)
where:
Base-Base interactions energy: -407.788
where: short stacking energy: -182.508
Base-Backbone interact. energy: 1.943
local terms energy: -221.979185
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -65.930
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -36.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -487.187797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.187797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.187797 (E_RNA)
where:
Base-Base interactions energy: -285.518
where: short stacking energy: -144.640
Base-Backbone interact. energy: -0.592
local terms energy: -201.077775
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -47.281
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -29.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1196.029107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.029107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.029107 (E_RNA)
where:
Base-Base interactions energy: -845.745
where: short stacking energy: -360.575
Base-Backbone interact. energy: -0.276
local terms energy: -350.008625
where:
bonds (distance) C4'-P energy: -60.754
bonds (distance) P-C4' energy: -65.109
flat angles C4'-P-C4' energy: -73.954
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -99.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1140.419990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.419990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.419990 (E_RNA)
where:
Base-Base interactions energy: -802.760
where: short stacking energy: -355.131
Base-Backbone interact. energy: -0.701
local terms energy: -336.958554
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -59.216
flat angles C4'-P-C4' energy: -68.788
flat angles P-C4'-P energy: -49.569
tors. eta vs tors. theta energy: -101.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1060.437443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.437443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.437443 (E_RNA)
where:
Base-Base interactions energy: -749.416
where: short stacking energy: -294.981
Base-Backbone interact. energy: -1.371
local terms energy: -309.651125
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -55.949
flat angles C4'-P-C4' energy: -70.755
flat angles P-C4'-P energy: -42.637
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1009.027315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.027315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.027315 (E_RNA)
where:
Base-Base interactions energy: -698.593
where: short stacking energy: -325.121
Base-Backbone interact. energy: -0.048
local terms energy: -310.387155
where:
bonds (distance) C4'-P energy: -56.323
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -63.171
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: -94.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -983.031438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.031438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.031438 (E_RNA)
where:
Base-Base interactions energy: -682.588
where: short stacking energy: -289.113
Base-Backbone interact. energy: -1.358
local terms energy: -299.085381
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -41.505
tors. eta vs tors. theta energy: -84.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -935.756487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.756487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.756487 (E_RNA)
where:
Base-Base interactions energy: -652.560
where: short stacking energy: -293.577
Base-Backbone interact. energy: 3.558
local terms energy: -286.754488
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -88.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -838.910022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.910022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.910022 (E_RNA)
where:
Base-Base interactions energy: -573.554
where: short stacking energy: -240.538
Base-Backbone interact. energy: -1.514
local terms energy: -263.842123
where:
bonds (distance) C4'-P energy: -59.768
bonds (distance) P-C4' energy: -48.691
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -60.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -865.332023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.332023 (E_RNA)
where:
Base-Base interactions energy: -601.446
where: short stacking energy: -266.447
Base-Backbone interact. energy: 1.192
local terms energy: -265.078547
where:
bonds (distance) C4'-P energy: -50.057
bonds (distance) P-C4' energy: -46.722
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -71.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -612.125102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.125102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.125102 (E_RNA)
where:
Base-Base interactions energy: -382.135
where: short stacking energy: -176.246
Base-Backbone interact. energy: 0.046
local terms energy: -230.036214
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -51.802
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -492.700607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.700607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.700607 (E_RNA)
where:
Base-Base interactions energy: -309.780
where: short stacking energy: -147.318
Base-Backbone interact. energy: -2.135
local terms energy: -180.784896
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -50.259
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1182.340214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.340214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.340214 (E_RNA)
where:
Base-Base interactions energy: -834.869
where: short stacking energy: -359.975
Base-Backbone interact. energy: -0.083
local terms energy: -347.388605
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -65.722
flat angles C4'-P-C4' energy: -77.056
flat angles P-C4'-P energy: -50.441
tors. eta vs tors. theta energy: -104.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1119.347282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.347282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.347282 (E_RNA)
where:
Base-Base interactions energy: -783.619
where: short stacking energy: -329.284
Base-Backbone interact. energy: -0.598
local terms energy: -335.130192
where:
bonds (distance) C4'-P energy: -59.227
bonds (distance) P-C4' energy: -64.291
flat angles C4'-P-C4' energy: -66.104
flat angles P-C4'-P energy: -50.639
tors. eta vs tors. theta energy: -94.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1058.893660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.893660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.893660 (E_RNA)
where:
Base-Base interactions energy: -751.131
where: short stacking energy: -306.863
Base-Backbone interact. energy: -1.280
local terms energy: -306.482159
where:
bonds (distance) C4'-P energy: -66.430
bonds (distance) P-C4' energy: -55.686
flat angles C4'-P-C4' energy: -68.658
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -79.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1000.301240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.301240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.301240 (E_RNA)
where:
Base-Base interactions energy: -692.732
where: short stacking energy: -293.449
Base-Backbone interact. energy: -0.401
local terms energy: -307.168113
where:
bonds (distance) C4'-P energy: -58.438
bonds (distance) P-C4' energy: -55.858
flat angles C4'-P-C4' energy: -67.017
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -82.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1027.690183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.690183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.690183 (E_RNA)
where:
Base-Base interactions energy: -706.189
where: short stacking energy: -293.911
Base-Backbone interact. energy: -0.498
local terms energy: -321.003603
where:
bonds (distance) C4'-P energy: -57.925
bonds (distance) P-C4' energy: -57.231
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -93.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -928.231758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.231758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.231758 (E_RNA)
where:
Base-Base interactions energy: -653.077
where: short stacking energy: -279.515
Base-Backbone interact. energy: -0.776
local terms energy: -274.378654
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -62.730
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -72.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -840.413694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.413694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.413694 (E_RNA)
where:
Base-Base interactions energy: -577.951
where: short stacking energy: -247.566
Base-Backbone interact. energy: -0.947
local terms energy: -261.516334
where:
bonds (distance) C4'-P energy: -52.563
bonds (distance) P-C4' energy: -57.909
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -32.223
tors. eta vs tors. theta energy: -57.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -854.909097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.909097 (E_RNA)
where:
Base-Base interactions energy: -596.046
where: short stacking energy: -261.980
Base-Backbone interact. energy: 1.270
local terms energy: -260.133534
where:
bonds (distance) C4'-P energy: -44.587
bonds (distance) P-C4' energy: -61.135
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -69.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -622.493896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.493896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.493896 (E_RNA)
where:
Base-Base interactions energy: -400.354
where: short stacking energy: -168.320
Base-Backbone interact. energy: -1.927
local terms energy: -220.212753
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -54.371
flat angles C4'-P-C4' energy: -46.539
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -525.024517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.024517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.024517 (E_RNA)
where:
Base-Base interactions energy: -333.464
where: short stacking energy: -172.582
Base-Backbone interact. energy: 2.719
local terms energy: -194.278852
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -45.911
flat angles P-C4'-P energy: -27.531
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1166.765539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.765539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.765539 (E_RNA)
where:
Base-Base interactions energy: -812.298
where: short stacking energy: -350.668
Base-Backbone interact. energy: -0.879
local terms energy: -353.588988
where:
bonds (distance) C4'-P energy: -67.102
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -73.654
flat angles P-C4'-P energy: -51.905
tors. eta vs tors. theta energy: -98.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1119.879423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.879423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.879423 (E_RNA)
where:
Base-Base interactions energy: -789.474
where: short stacking energy: -338.109
Base-Backbone interact. energy: -0.610
local terms energy: -329.795640
where:
bonds (distance) C4'-P energy: -58.406
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -68.369
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -101.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1062.247684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.247684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.247684 (E_RNA)
where:
Base-Base interactions energy: -770.550
where: short stacking energy: -307.113
Base-Backbone interact. energy: -4.181
local terms energy: -287.516523
where:
bonds (distance) C4'-P energy: -64.765
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -55.842
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -77.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1001.707205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.707205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.707205 (E_RNA)
where:
Base-Base interactions energy: -678.621
where: short stacking energy: -308.754
Base-Backbone interact. energy: 1.272
local terms energy: -324.358461
where:
bonds (distance) C4'-P energy: -56.609
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -67.377
flat angles P-C4'-P energy: -50.468
tors. eta vs tors. theta energy: -96.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -961.701158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.701158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.701158 (E_RNA)
where:
Base-Base interactions energy: -658.434
where: short stacking energy: -282.197
Base-Backbone interact. energy: -1.117
local terms energy: -302.150120
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -66.293
flat angles P-C4'-P energy: -37.500
tors. eta vs tors. theta energy: -87.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -921.302231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.302231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.302231 (E_RNA)
where:
Base-Base interactions energy: -631.202
where: short stacking energy: -283.944
Base-Backbone interact. energy: 0.170
local terms energy: -290.269400
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -53.527
flat angles C4'-P-C4' energy: -63.865
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -76.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -836.867364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.867364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.867364 (E_RNA)
where:
Base-Base interactions energy: -593.896
where: short stacking energy: -263.156
Base-Backbone interact. energy: -0.224
local terms energy: -242.747394
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -61.700
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -63.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -819.519251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.519251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.519251 (E_RNA)
where:
Base-Base interactions energy: -568.371
where: short stacking energy: -234.615
Base-Backbone interact. energy: -1.381
local terms energy: -249.767960
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -54.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -627.681822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.681822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.681822 (E_RNA)
where:
Base-Base interactions energy: -409.105
where: short stacking energy: -185.531
Base-Backbone interact. energy: -2.105
local terms energy: -216.471992
where:
bonds (distance) C4'-P energy: -52.959
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -470.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.629955 (E_RNA)
where:
Base-Base interactions energy: -276.337
where: short stacking energy: -124.592
Base-Backbone interact. energy: 1.219
local terms energy: -195.512470
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1169.743713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.743713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.743713 (E_RNA)
where:
Base-Base interactions energy: -825.452
where: short stacking energy: -353.871
Base-Backbone interact. energy: -0.061
local terms energy: -344.230457
where:
bonds (distance) C4'-P energy: -67.284
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -68.801
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -100.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1113.759271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.759271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.759271 (E_RNA)
where:
Base-Base interactions energy: -782.735
where: short stacking energy: -340.864
Base-Backbone interact. energy: -2.203
local terms energy: -328.821483
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -68.464
flat angles P-C4'-P energy: -47.400
tors. eta vs tors. theta energy: -97.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1069.470393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.470393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.470393 (E_RNA)
where:
Base-Base interactions energy: -759.246
where: short stacking energy: -304.529
Base-Backbone interact. energy: 0.308
local terms energy: -310.532349
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -37.557
tors. eta vs tors. theta energy: -82.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1025.469063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.469063 (E_RNA)
where:
Base-Base interactions energy: -703.925
where: short stacking energy: -312.853
Base-Backbone interact. energy: 2.187
local terms energy: -323.731394
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -45.653
tors. eta vs tors. theta energy: -92.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -926.197783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.197783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.197783 (E_RNA)
where:
Base-Base interactions energy: -626.581
where: short stacking energy: -283.414
Base-Backbone interact. energy: 0.012
local terms energy: -299.628338
where:
bonds (distance) C4'-P energy: -56.375
bonds (distance) P-C4' energy: -67.584
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -76.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -944.942378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.942378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.942378 (E_RNA)
where:
Base-Base interactions energy: -661.771
where: short stacking energy: -280.856
Base-Backbone interact. energy: 0.846
local terms energy: -284.017330
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -53.907
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -71.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -838.488604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.488604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.488604 (E_RNA)
where:
Base-Base interactions energy: -567.055
where: short stacking energy: -249.830
Base-Backbone interact. energy: 2.684
local terms energy: -274.117929
where:
bonds (distance) C4'-P energy: -52.996
bonds (distance) P-C4' energy: -47.057
flat angles C4'-P-C4' energy: -65.729
flat angles P-C4'-P energy: -45.616
tors. eta vs tors. theta energy: -62.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -829.426976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.426976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.426976 (E_RNA)
where:
Base-Base interactions energy: -574.797
where: short stacking energy: -255.173
Base-Backbone interact. energy: -0.530
local terms energy: -254.100237
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -61.336
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -64.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -649.601562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.601562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.601562 (E_RNA)
where:
Base-Base interactions energy: -440.564
where: short stacking energy: -188.520
Base-Backbone interact. energy: -1.195
local terms energy: -207.842901
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -51.452
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -451.377842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.377842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.377842 (E_RNA)
where:
Base-Base interactions energy: -252.605
where: short stacking energy: -116.606
Base-Backbone interact. energy: 0.556
local terms energy: -199.328830
where:
bonds (distance) C4'-P energy: -50.665
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1186.077292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.077292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.077292 (E_RNA)
where:
Base-Base interactions energy: -842.235
where: short stacking energy: -361.273
Base-Backbone interact. energy: 1.007
local terms energy: -344.849179
where:
bonds (distance) C4'-P energy: -61.119
bonds (distance) P-C4' energy: -56.749
flat angles C4'-P-C4' energy: -74.145
flat angles P-C4'-P energy: -47.019
tors. eta vs tors. theta energy: -105.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1108.678357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.678357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.678357 (E_RNA)
where:
Base-Base interactions energy: -785.661
where: short stacking energy: -342.943
Base-Backbone interact. energy: -1.265
local terms energy: -321.752706
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -70.762
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -94.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1034.682854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.682854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.682854 (E_RNA)
where:
Base-Base interactions energy: -733.258
where: short stacking energy: -307.640
Base-Backbone interact. energy: -0.445
local terms energy: -300.980266
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -79.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1064.743985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.743985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.743985 (E_RNA)
where:
Base-Base interactions energy: -745.814
where: short stacking energy: -325.411
Base-Backbone interact. energy: -1.068
local terms energy: -317.861581
where:
bonds (distance) C4'-P energy: -52.111
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -65.632
flat angles P-C4'-P energy: -50.248
tors. eta vs tors. theta energy: -94.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -973.863091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.863091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.863091 (E_RNA)
where:
Base-Base interactions energy: -667.337
where: short stacking energy: -298.149
Base-Backbone interact. energy: 0.433
local terms energy: -306.958957
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -30.651
tors. eta vs tors. theta energy: -88.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -946.710698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.710698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.710698 (E_RNA)
where:
Base-Base interactions energy: -666.640
where: short stacking energy: -285.137
Base-Backbone interact. energy: -0.890
local terms energy: -279.181222
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -64.924
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -75.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -841.775928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.775928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.775928 (E_RNA)
where:
Base-Base interactions energy: -568.090
where: short stacking energy: -243.218
Base-Backbone interact. energy: -0.928
local terms energy: -272.757651
where:
bonds (distance) C4'-P energy: -57.676
bonds (distance) P-C4' energy: -61.707
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -56.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -802.051190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.051190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.051190 (E_RNA)
where:
Base-Base interactions energy: -564.674
where: short stacking energy: -243.440
Base-Backbone interact. energy: 7.271
local terms energy: -244.647856
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -52.703
flat angles P-C4'-P energy: -42.114
tors. eta vs tors. theta energy: -59.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -652.584291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.584291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.584291 (E_RNA)
where:
Base-Base interactions energy: -426.322
where: short stacking energy: -173.528
Base-Backbone interact. energy: -0.935
local terms energy: -225.328019
where:
bonds (distance) C4'-P energy: -57.395
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -46.570
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -38.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -453.861160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.861160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.861160 (E_RNA)
where:
Base-Base interactions energy: -279.713
where: short stacking energy: -132.864
Base-Backbone interact. energy: 0.550
local terms energy: -174.698936
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1179.083920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.083920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.083920 (E_RNA)
where:
Base-Base interactions energy: -840.553
where: short stacking energy: -349.213
Base-Backbone interact. energy: -1.098
local terms energy: -337.432562
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -64.721
flat angles C4'-P-C4' energy: -70.500
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -99.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1122.699784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.699784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.699784 (E_RNA)
where:
Base-Base interactions energy: -786.883
where: short stacking energy: -340.641
Base-Backbone interact. energy: -0.500
local terms energy: -335.316956
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -65.440
flat angles P-C4'-P energy: -46.174
tors. eta vs tors. theta energy: -104.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1058.081442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.081442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.081442 (E_RNA)
where:
Base-Base interactions energy: -754.452
where: short stacking energy: -320.516
Base-Backbone interact. energy: 3.833
local terms energy: -307.461784
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -73.654
flat angles P-C4'-P energy: -38.237
tors. eta vs tors. theta energy: -90.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1018.551495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.551495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.551495 (E_RNA)
where:
Base-Base interactions energy: -715.646
where: short stacking energy: -311.336
Base-Backbone interact. energy: -2.126
local terms energy: -300.779935
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -92.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -966.561426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.561426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.561426 (E_RNA)
where:
Base-Base interactions energy: -668.405
where: short stacking energy: -275.277
Base-Backbone interact. energy: -2.459
local terms energy: -295.697790
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -46.146
tors. eta vs tors. theta energy: -78.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -962.116266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.116266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.116266 (E_RNA)
where:
Base-Base interactions energy: -662.466
where: short stacking energy: -291.226
Base-Backbone interact. energy: -1.577
local terms energy: -298.073681
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -60.204
flat angles C4'-P-C4' energy: -56.227
flat angles P-C4'-P energy: -42.246
tors. eta vs tors. theta energy: -82.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -832.062734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.062734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.062734 (E_RNA)
where:
Base-Base interactions energy: -584.916
where: short stacking energy: -254.652
Base-Backbone interact. energy: -0.931
local terms energy: -246.215829
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -787.616249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.616249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.616249 (E_RNA)
where:
Base-Base interactions energy: -515.125
where: short stacking energy: -210.322
Base-Backbone interact. energy: 2.274
local terms energy: -274.766011
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -62.610
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -59.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -657.168930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.168930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.168930 (E_RNA)
where:
Base-Base interactions energy: -441.986
where: short stacking energy: -191.614
Base-Backbone interact. energy: 0.077
local terms energy: -215.260679
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -39.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -481.920402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.920402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.920402 (E_RNA)
where:
Base-Base interactions energy: -301.962
where: short stacking energy: -132.101
Base-Backbone interact. energy: 4.252
local terms energy: -184.209941
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -40.417
flat angles C4'-P-C4' energy: -48.961
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1194.508681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.508681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.508681 (E_RNA)
where:
Base-Base interactions energy: -851.281
where: short stacking energy: -362.995
Base-Backbone interact. energy: -1.705
local terms energy: -341.522977
where:
bonds (distance) C4'-P energy: -61.134
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -102.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1128.121701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.121701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.121701 (E_RNA)
where:
Base-Base interactions energy: -789.947
where: short stacking energy: -326.458
Base-Backbone interact. energy: 2.290
local terms energy: -340.464144
where:
bonds (distance) C4'-P energy: -65.760
bonds (distance) P-C4' energy: -64.346
flat angles C4'-P-C4' energy: -67.619
flat angles P-C4'-P energy: -40.635
tors. eta vs tors. theta energy: -102.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1057.397623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.397623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.397623 (E_RNA)
where:
Base-Base interactions energy: -733.344
where: short stacking energy: -319.568
Base-Backbone interact. energy: -0.885
local terms energy: -323.169328
where:
bonds (distance) C4'-P energy: -64.846
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -68.659
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -90.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -997.312682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.312682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.312682 (E_RNA)
where:
Base-Base interactions energy: -699.139
where: short stacking energy: -299.333
Base-Backbone interact. energy: -1.922
local terms energy: -296.251574
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -62.651
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: -80.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1037.763975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.763975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.763975 (E_RNA)
where:
Base-Base interactions energy: -740.508
where: short stacking energy: -313.894
Base-Backbone interact. energy: -0.951
local terms energy: -296.305250
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -36.235
tors. eta vs tors. theta energy: -91.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -950.130095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.130095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.130095 (E_RNA)
where:
Base-Base interactions energy: -663.837
where: short stacking energy: -280.996
Base-Backbone interact. energy: -0.445
local terms energy: -285.847614
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -54.984
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -84.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -861.547266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.547266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.547266 (E_RNA)
where:
Base-Base interactions energy: -596.103
where: short stacking energy: -240.830
Base-Backbone interact. energy: -2.458
local terms energy: -262.986158
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -49.289
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -758.427979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.427979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.427979 (E_RNA)
where:
Base-Base interactions energy: -515.914
where: short stacking energy: -231.903
Base-Backbone interact. energy: -1.883
local terms energy: -240.630873
where:
bonds (distance) C4'-P energy: -55.256
bonds (distance) P-C4' energy: -47.442
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -18.332
tors. eta vs tors. theta energy: -53.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -686.583045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.583045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.583045 (E_RNA)
where:
Base-Base interactions energy: -466.781
where: short stacking energy: -193.939
Base-Backbone interact. energy: -1.086
local terms energy: -218.716301
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -38.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -472.490562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.490562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.490562 (E_RNA)
where:
Base-Base interactions energy: -275.844
where: short stacking energy: -142.958
Base-Backbone interact. energy: 3.207
local terms energy: -199.853982
where:
bonds (distance) C4'-P energy: -46.099
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1183.394845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.394845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.394845 (E_RNA)
where:
Base-Base interactions energy: -845.386
where: short stacking energy: -357.694
Base-Backbone interact. energy: -0.423
local terms energy: -337.585601
where:
bonds (distance) C4'-P energy: -57.925
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -70.191
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -108.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1101.333548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.333548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.333548 (E_RNA)
where:
Base-Base interactions energy: -790.913
where: short stacking energy: -324.420
Base-Backbone interact. energy: -0.623
local terms energy: -309.797072
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -49.934
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -97.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1059.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.364931 (E_RNA)
where:
Base-Base interactions energy: -741.063
where: short stacking energy: -323.140
Base-Backbone interact. energy: 0.555
local terms energy: -318.857573
where:
bonds (distance) C4'-P energy: -63.697
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -54.680
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -98.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1004.506918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.506918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.506918 (E_RNA)
where:
Base-Base interactions energy: -692.799
where: short stacking energy: -303.242
Base-Backbone interact. energy: 0.031
local terms energy: -311.738973
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -51.050
flat angles C4'-P-C4' energy: -66.002
flat angles P-C4'-P energy: -48.777
tors. eta vs tors. theta energy: -83.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1010.168425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.168425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.168425 (E_RNA)
where:
Base-Base interactions energy: -709.839
where: short stacking energy: -295.720
Base-Backbone interact. energy: -1.873
local terms energy: -298.456228
where:
bonds (distance) C4'-P energy: -56.319
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -72.450
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -80.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -941.115431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.115431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.115431 (E_RNA)
where:
Base-Base interactions energy: -654.565
where: short stacking energy: -271.311
Base-Backbone interact. energy: 2.216
local terms energy: -288.766121
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -63.497
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -70.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -821.243618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.243618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.243618 (E_RNA)
where:
Base-Base interactions energy: -569.213
where: short stacking energy: -235.380
Base-Backbone interact. energy: -1.675
local terms energy: -250.355683
where:
bonds (distance) C4'-P energy: -43.900
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -55.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -785.446878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.446878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.446878 (E_RNA)
where:
Base-Base interactions energy: -528.736
where: short stacking energy: -224.859
Base-Backbone interact. energy: -0.901
local terms energy: -255.809693
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -56.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -631.194794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.194794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.194794 (E_RNA)
where:
Base-Base interactions energy: -402.895
where: short stacking energy: -180.293
Base-Backbone interact. energy: -1.398
local terms energy: -226.902257
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -54.085
flat angles C4'-P-C4' energy: -55.079
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -501.224227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.224227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.224227 (E_RNA)
where:
Base-Base interactions energy: -310.767
where: short stacking energy: -151.256
Base-Backbone interact. energy: -1.785
local terms energy: -188.672363
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -48.285
flat angles C4'-P-C4' energy: -47.401
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1183.171105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.171105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.171105 (E_RNA)
where:
Base-Base interactions energy: -837.839
where: short stacking energy: -345.252
Base-Backbone interact. energy: -1.078
local terms energy: -344.254412
where:
bonds (distance) C4'-P energy: -66.406
bonds (distance) P-C4' energy: -64.026
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -98.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1106.123770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.123770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.123770 (E_RNA)
where:
Base-Base interactions energy: -774.373
where: short stacking energy: -328.587
Base-Backbone interact. energy: -0.389
local terms energy: -331.361173
where:
bonds (distance) C4'-P energy: -60.109
bonds (distance) P-C4' energy: -60.913
flat angles C4'-P-C4' energy: -75.890
flat angles P-C4'-P energy: -39.280
tors. eta vs tors. theta energy: -95.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1028.477080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.477080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.477080 (E_RNA)
where:
Base-Base interactions energy: -714.673
where: short stacking energy: -315.928
Base-Backbone interact. energy: -0.530
local terms energy: -313.274128
where:
bonds (distance) C4'-P energy: -54.142
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -67.127
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -89.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1032.640363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.640363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.640363 (E_RNA)
where:
Base-Base interactions energy: -731.210
where: short stacking energy: -290.870
Base-Backbone interact. energy: 0.961
local terms energy: -302.391439
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -76.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -984.147643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.147643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.147643 (E_RNA)
where:
Base-Base interactions energy: -687.857
where: short stacking energy: -295.386
Base-Backbone interact. energy: -2.316
local terms energy: -293.974696
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -51.295
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -76.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -861.061128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.061128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.061128 (E_RNA)
where:
Base-Base interactions energy: -601.657
where: short stacking energy: -271.557
Base-Backbone interact. energy: 0.328
local terms energy: -259.732074
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -62.869
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -59.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -892.374002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.374002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.374002 (E_RNA)
where:
Base-Base interactions energy: -622.579
where: short stacking energy: -291.428
Base-Backbone interact. energy: -1.107
local terms energy: -268.688142
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -78.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -810.951057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.951057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.951057 (E_RNA)
where:
Base-Base interactions energy: -568.730
where: short stacking energy: -233.812
Base-Backbone interact. energy: -0.683
local terms energy: -241.538493
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -56.139
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -59.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -601.156443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.156443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.156443 (E_RNA)
where:
Base-Base interactions energy: -393.915
where: short stacking energy: -183.379
Base-Backbone interact. energy: 4.106
local terms energy: -211.346787
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -42.955
flat angles P-C4'-P energy: -40.108
tors. eta vs tors. theta energy: -39.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -519.603117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.603117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.603117 (E_RNA)
where:
Base-Base interactions energy: -320.851
where: short stacking energy: -156.324
Base-Backbone interact. energy: -2.216
local terms energy: -196.536569
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -40.234
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1184.778475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.778475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.778475 (E_RNA)
where:
Base-Base interactions energy: -842.192
where: short stacking energy: -360.550
Base-Backbone interact. energy: -0.183
local terms energy: -342.403586
where:
bonds (distance) C4'-P energy: -59.423
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -74.108
flat angles P-C4'-P energy: -42.804
tors. eta vs tors. theta energy: -98.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1115.596006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.596006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.596006 (E_RNA)
where:
Base-Base interactions energy: -787.770
where: short stacking energy: -329.642
Base-Backbone interact. energy: -0.558
local terms energy: -327.267719
where:
bonds (distance) C4'-P energy: -59.676
bonds (distance) P-C4' energy: -61.720
flat angles C4'-P-C4' energy: -63.864
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -98.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1082.233614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.233614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.233614 (E_RNA)
where:
Base-Base interactions energy: -767.880
where: short stacking energy: -313.069
Base-Backbone interact. energy: 0.592
local terms energy: -314.945954
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -60.781
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -45.630
tors. eta vs tors. theta energy: -85.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1051.975134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.975134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.975134 (E_RNA)
where:
Base-Base interactions energy: -740.701
where: short stacking energy: -316.265
Base-Backbone interact. energy: -0.107
local terms energy: -311.167306
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -66.980
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -91.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -979.706273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.706273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.706273 (E_RNA)
where:
Base-Base interactions energy: -672.319
where: short stacking energy: -291.667
Base-Backbone interact. energy: -0.605
local terms energy: -306.782240
where:
bonds (distance) C4'-P energy: -56.735
bonds (distance) P-C4' energy: -61.460
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -82.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -927.076175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.076175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.076175 (E_RNA)
where:
Base-Base interactions energy: -626.965
where: short stacking energy: -268.559
Base-Backbone interact. energy: -0.896
local terms energy: -299.215401
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -74.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -893.078389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.078389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.078389 (E_RNA)
where:
Base-Base interactions energy: -610.684
where: short stacking energy: -283.006
Base-Backbone interact. energy: -0.247
local terms energy: -282.148018
where:
bonds (distance) C4'-P energy: -57.478
bonds (distance) P-C4' energy: -51.319
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -82.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -826.982546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.982546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.982546 (E_RNA)
where:
Base-Base interactions energy: -572.413
where: short stacking energy: -224.305
Base-Backbone interact. energy: 0.608
local terms energy: -255.177333
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -58.819
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -57.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -618.952741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.952741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.952741 (E_RNA)
where:
Base-Base interactions energy: -389.163
where: short stacking energy: -161.600
Base-Backbone interact. energy: 1.202
local terms energy: -230.991732
where:
bonds (distance) C4'-P energy: -48.456
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -55.481
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -554.452874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.452874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.452874 (E_RNA)
where:
Base-Base interactions energy: -355.733
where: short stacking energy: -169.106
Base-Backbone interact. energy: 2.543
local terms energy: -201.262531
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -45.131
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -27.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1185.593715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.593715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.593715 (E_RNA)
where:
Base-Base interactions energy: -853.595
where: short stacking energy: -362.535
Base-Backbone interact. energy: -0.967
local terms energy: -331.032253
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -59.423
flat angles C4'-P-C4' energy: -73.820
flat angles P-C4'-P energy: -41.789
tors. eta vs tors. theta energy: -97.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1113.828108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.828108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.828108 (E_RNA)
where:
Base-Base interactions energy: -775.788
where: short stacking energy: -328.475
Base-Backbone interact. energy: 0.155
local terms energy: -338.194479
where:
bonds (distance) C4'-P energy: -55.182
bonds (distance) P-C4' energy: -63.862
flat angles C4'-P-C4' energy: -68.981
flat angles P-C4'-P energy: -47.901
tors. eta vs tors. theta energy: -102.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1091.883483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.883483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.883483 (E_RNA)
where:
Base-Base interactions energy: -773.930
where: short stacking energy: -331.178
Base-Backbone interact. energy: 0.044
local terms energy: -317.997669
where:
bonds (distance) C4'-P energy: -58.749
bonds (distance) P-C4' energy: -66.929
flat angles C4'-P-C4' energy: -71.669
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -84.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1025.236133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.236133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.236133 (E_RNA)
where:
Base-Base interactions energy: -710.586
where: short stacking energy: -300.778
Base-Backbone interact. energy: -0.735
local terms energy: -313.915079
where:
bonds (distance) C4'-P energy: -55.877
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -70.528
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -90.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -986.935841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.935841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.935841 (E_RNA)
where:
Base-Base interactions energy: -691.849
where: short stacking energy: -290.202
Base-Backbone interact. energy: 0.144
local terms energy: -295.230941
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -56.523
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -86.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -932.615888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.615888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.615888 (E_RNA)
where:
Base-Base interactions energy: -652.518
where: short stacking energy: -273.018
Base-Backbone interact. energy: -2.293
local terms energy: -277.804541
where:
bonds (distance) C4'-P energy: -48.062
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: -73.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -856.093227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.093227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.093227 (E_RNA)
where:
Base-Base interactions energy: -600.515
where: short stacking energy: -247.093
Base-Backbone interact. energy: -0.717
local terms energy: -254.860665
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -48.734
flat angles C4'-P-C4' energy: -47.251
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -69.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -833.399406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.399406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.399406 (E_RNA)
where:
Base-Base interactions energy: -573.814
where: short stacking energy: -239.607
Base-Backbone interact. energy: -0.851
local terms energy: -258.734436
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -59.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -614.341387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.341387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.341387 (E_RNA)
where:
Base-Base interactions energy: -375.356
where: short stacking energy: -165.891
Base-Backbone interact. energy: -0.521
local terms energy: -238.463554
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -57.163
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -35.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -483.917357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.917357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.917357 (E_RNA)
where:
Base-Base interactions energy: -301.799
where: short stacking energy: -141.199
Base-Backbone interact. energy: -0.760
local terms energy: -181.358199
where:
bonds (distance) C4'-P energy: -36.106
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -50.874
flat angles P-C4'-P energy: -27.448
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1187.243983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.243983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.243983 (E_RNA)
where:
Base-Base interactions energy: -847.070
where: short stacking energy: -358.228
Base-Backbone interact. energy: 1.193
local terms energy: -341.366052
where:
bonds (distance) C4'-P energy: -69.284
bonds (distance) P-C4' energy: -63.485
flat angles C4'-P-C4' energy: -72.271
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -100.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1123.698183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.698183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.698183 (E_RNA)
where:
Base-Base interactions energy: -790.147
where: short stacking energy: -339.378
Base-Backbone interact. energy: -1.827
local terms energy: -331.724046
where:
bonds (distance) C4'-P energy: -59.431
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -69.945
flat angles P-C4'-P energy: -44.946
tors. eta vs tors. theta energy: -102.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1096.190813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.190813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.190813 (E_RNA)
where:
Base-Base interactions energy: -761.540
where: short stacking energy: -322.228
Base-Backbone interact. energy: -0.337
local terms energy: -334.313382
where:
bonds (distance) C4'-P energy: -64.110
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -57.713
tors. eta vs tors. theta energy: -85.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1039.402409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.402409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.402409 (E_RNA)
where:
Base-Base interactions energy: -728.542
where: short stacking energy: -313.810
Base-Backbone interact. energy: -1.621
local terms energy: -309.239555
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -54.386
flat angles C4'-P-C4' energy: -71.443
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -88.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -998.589032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.589032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.589032 (E_RNA)
where:
Base-Base interactions energy: -672.656
where: short stacking energy: -293.083
Base-Backbone interact. energy: -0.742
local terms energy: -325.191512
where:
bonds (distance) C4'-P energy: -60.525
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -68.080
flat angles P-C4'-P energy: -50.613
tors. eta vs tors. theta energy: -86.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -926.061272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.061272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.061272 (E_RNA)
where:
Base-Base interactions energy: -648.846
where: short stacking energy: -280.124
Base-Backbone interact. energy: -0.354
local terms energy: -276.861109
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -73.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -865.300199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.300199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.300199 (E_RNA)
where:
Base-Base interactions energy: -604.032
where: short stacking energy: -249.990
Base-Backbone interact. energy: -2.075
local terms energy: -259.193301
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -44.816
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -63.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -805.291556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.291556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.291556 (E_RNA)
where:
Base-Base interactions energy: -537.581
where: short stacking energy: -231.586
Base-Backbone interact. energy: 1.133
local terms energy: -268.843506
where:
bonds (distance) C4'-P energy: -51.192
bonds (distance) P-C4' energy: -64.679
flat angles C4'-P-C4' energy: -61.672
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -51.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -630.947967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.947967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.947967 (E_RNA)
where:
Base-Base interactions energy: -391.328
where: short stacking energy: -172.712
Base-Backbone interact. energy: -1.214
local terms energy: -238.405819
where:
bonds (distance) C4'-P energy: -53.634
bonds (distance) P-C4' energy: -56.801
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -459.176099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.176099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.176099 (E_RNA)
where:
Base-Base interactions energy: -277.024
where: short stacking energy: -126.201
Base-Backbone interact. energy: -1.111
local terms energy: -181.041316
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -38.031
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1172.647608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.647608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.647608 (E_RNA)
where:
Base-Base interactions energy: -820.476
where: short stacking energy: -361.566
Base-Backbone interact. energy: -0.309
local terms energy: -351.862394
where:
bonds (distance) C4'-P energy: -64.712
bonds (distance) P-C4' energy: -61.921
flat angles C4'-P-C4' energy: -72.641
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -104.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1117.638401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.638401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.638401 (E_RNA)
where:
Base-Base interactions energy: -778.490
where: short stacking energy: -338.958
Base-Backbone interact. energy: -1.109
local terms energy: -338.039340
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -63.253
flat angles C4'-P-C4' energy: -73.241
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -100.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1087.212901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.212901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.212901 (E_RNA)
where:
Base-Base interactions energy: -771.783
where: short stacking energy: -315.904
Base-Backbone interact. energy: -1.358
local terms energy: -314.072233
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -62.717
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -46.737
tors. eta vs tors. theta energy: -96.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -993.950615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.950615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.950615 (E_RNA)
where:
Base-Base interactions energy: -694.856
where: short stacking energy: -313.166
Base-Backbone interact. energy: -1.887
local terms energy: -297.207012
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -64.259
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -91.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1013.510371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.510371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.510371 (E_RNA)
where:
Base-Base interactions energy: -700.666
where: short stacking energy: -314.420
Base-Backbone interact. energy: -0.480
local terms energy: -312.363820
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -37.951
tors. eta vs tors. theta energy: -90.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -933.350065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.350065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.350065 (E_RNA)
where:
Base-Base interactions energy: -651.941
where: short stacking energy: -293.972
Base-Backbone interact. energy: -0.767
local terms energy: -280.642781
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -80.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -885.685478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.685478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.685478 (E_RNA)
where:
Base-Base interactions energy: -608.564
where: short stacking energy: -267.401
Base-Backbone interact. energy: -2.090
local terms energy: -275.031972
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -50.919
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -79.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -823.967589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.967589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.967589 (E_RNA)
where:
Base-Base interactions energy: -567.975
where: short stacking energy: -236.256
Base-Backbone interact. energy: -1.900
local terms energy: -254.092348
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -28.974
tors. eta vs tors. theta energy: -61.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -633.154410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.154410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.154410 (E_RNA)
where:
Base-Base interactions energy: -402.999
where: short stacking energy: -189.917
Base-Backbone interact. energy: -0.402
local terms energy: -229.752883
where:
bonds (distance) C4'-P energy: -46.775
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -49.137
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -38.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -523.225254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.225254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.225254 (E_RNA)
where:
Base-Base interactions energy: -332.024
where: short stacking energy: -135.212
Base-Backbone interact. energy: 7.099
local terms energy: -198.299869
where:
bonds (distance) C4'-P energy: -37.621
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -56.987
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1178.421595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.421595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.421595 (E_RNA)
where:
Base-Base interactions energy: -841.886
where: short stacking energy: -359.544
Base-Backbone interact. energy: -1.868
local terms energy: -334.666702
where:
bonds (distance) C4'-P energy: -63.917
bonds (distance) P-C4' energy: -62.385
flat angles C4'-P-C4' energy: -68.209
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -99.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1116.076023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.076023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.076023 (E_RNA)
where:
Base-Base interactions energy: -792.756
where: short stacking energy: -340.644
Base-Backbone interact. energy: -0.649
local terms energy: -322.671345
where:
bonds (distance) C4'-P energy: -60.439
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -103.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1088.969470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.969470 (E_RNA)
where:
Base-Base interactions energy: -781.362
where: short stacking energy: -342.661
Base-Backbone interact. energy: -1.512
local terms energy: -306.095657
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -60.821
flat angles P-C4'-P energy: -46.752
tors. eta vs tors. theta energy: -90.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -999.369366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.369366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.369366 (E_RNA)
where:
Base-Base interactions energy: -693.000
where: short stacking energy: -308.766
Base-Backbone interact. energy: -0.132
local terms energy: -306.236726
where:
bonds (distance) C4'-P energy: -60.148
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -66.662
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: -81.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -972.206601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.206601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.206601 (E_RNA)
where:
Base-Base interactions energy: -649.749
where: short stacking energy: -285.848
Base-Backbone interact. energy: -0.808
local terms energy: -321.649945
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -70.931
flat angles C4'-P-C4' energy: -67.324
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -923.604092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.604092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.604092 (E_RNA)
where:
Base-Base interactions energy: -637.551
where: short stacking energy: -280.404
Base-Backbone interact. energy: 0.573
local terms energy: -286.626547
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -57.226
flat angles C4'-P-C4' energy: -62.247
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -72.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -865.758862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.758862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.758862 (E_RNA)
where:
Base-Base interactions energy: -591.753
where: short stacking energy: -261.269
Base-Backbone interact. energy: -0.974
local terms energy: -273.031264
where:
bonds (distance) C4'-P energy: -46.147
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -74.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -835.268706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.268706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.268706 (E_RNA)
where:
Base-Base interactions energy: -583.732
where: short stacking energy: -250.603
Base-Backbone interact. energy: -1.316
local terms energy: -250.221610
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -69.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -615.963715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.963715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.963715 (E_RNA)
where:
Base-Base interactions energy: -405.980
where: short stacking energy: -191.952
Base-Backbone interact. energy: -1.018
local terms energy: -208.965411
where:
bonds (distance) C4'-P energy: -43.598
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -48.964
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -34.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -498.799137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.799137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.799137 (E_RNA)
where:
Base-Base interactions energy: -305.010
where: short stacking energy: -147.664
Base-Backbone interact. energy: 2.903
local terms energy: -196.691249
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -31.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1173.994686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.994686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.994686 (E_RNA)
where:
Base-Base interactions energy: -834.806
where: short stacking energy: -343.203
Base-Backbone interact. energy: 0.420
local terms energy: -339.608857
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -71.247
flat angles P-C4'-P energy: -50.539
tors. eta vs tors. theta energy: -98.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1118.382620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.382620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.382620 (E_RNA)
where:
Base-Base interactions energy: -798.633
where: short stacking energy: -342.324
Base-Backbone interact. energy: -1.343
local terms energy: -318.407235
where:
bonds (distance) C4'-P energy: -61.958
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -106.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1082.979147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.979147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.979147 (E_RNA)
where:
Base-Base interactions energy: -764.983
where: short stacking energy: -317.311
Base-Backbone interact. energy: 1.330
local terms energy: -319.326360
where:
bonds (distance) C4'-P energy: -61.043
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -64.871
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: -86.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1021.858348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.858348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.858348 (E_RNA)
where:
Base-Base interactions energy: -718.908
where: short stacking energy: -303.717
Base-Backbone interact. energy: -0.289
local terms energy: -302.661888
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -58.403
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -87.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -983.564157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.564157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.564157 (E_RNA)
where:
Base-Base interactions energy: -677.728
where: short stacking energy: -301.687
Base-Backbone interact. energy: -0.930
local terms energy: -304.905458
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -35.464
tors. eta vs tors. theta energy: -88.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -928.005189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.005189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.005189 (E_RNA)
where:
Base-Base interactions energy: -656.084
where: short stacking energy: -281.717
Base-Backbone interact. energy: -1.527
local terms energy: -270.394341
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -45.252
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -80.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -859.881506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.881506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.881506 (E_RNA)
where:
Base-Base interactions energy: -584.722
where: short stacking energy: -256.262
Base-Backbone interact. energy: -0.277
local terms energy: -274.882205
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -71.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -789.001436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.001436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.001436 (E_RNA)
where:
Base-Base interactions energy: -537.858
where: short stacking energy: -236.481
Base-Backbone interact. energy: -0.655
local terms energy: -250.488716
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -46.261
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -55.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -627.571939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.571939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.571939 (E_RNA)
where:
Base-Base interactions energy: -417.569
where: short stacking energy: -194.923
Base-Backbone interact. energy: -0.177
local terms energy: -209.825739
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -49.581
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -31.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -480.986491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.986491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.986491 (E_RNA)
where:
Base-Base interactions energy: -290.463
where: short stacking energy: -143.237
Base-Backbone interact. energy: 1.183
local terms energy: -191.706388
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -45.179
flat angles C4'-P-C4' energy: -62.381
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1149.807180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.807180 (E_RNA)
where:
Base-Base interactions energy: -800.807
where: short stacking energy: -356.063
Base-Backbone interact. energy: -1.888
local terms energy: -347.111866
where:
bonds (distance) C4'-P energy: -61.005
bonds (distance) P-C4' energy: -65.950
flat angles C4'-P-C4' energy: -69.015
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -104.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1145.591902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.591902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.591902 (E_RNA)
where:
Base-Base interactions energy: -806.496
where: short stacking energy: -343.273
Base-Backbone interact. energy: -0.933
local terms energy: -338.163390
where:
bonds (distance) C4'-P energy: -62.404
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -48.560
tors. eta vs tors. theta energy: -98.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1082.071059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.071059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.071059 (E_RNA)
where:
Base-Base interactions energy: -763.853
where: short stacking energy: -312.776
Base-Backbone interact. energy: -0.873
local terms energy: -317.344769
where:
bonds (distance) C4'-P energy: -55.050
bonds (distance) P-C4' energy: -61.796
flat angles C4'-P-C4' energy: -67.625
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -89.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1009.389522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.389522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.389522 (E_RNA)
where:
Base-Base interactions energy: -686.370
where: short stacking energy: -296.522
Base-Backbone interact. energy: -0.353
local terms energy: -322.667407
where:
bonds (distance) C4'-P energy: -60.148
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -43.295
tors. eta vs tors. theta energy: -81.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -981.726591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.726591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.726591 (E_RNA)
where:
Base-Base interactions energy: -684.719
where: short stacking energy: -309.201
Base-Backbone interact. energy: 0.859
local terms energy: -297.866420
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -60.557
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -83.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -915.230418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.230418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.230418 (E_RNA)
where:
Base-Base interactions energy: -622.422
where: short stacking energy: -266.698
Base-Backbone interact. energy: -0.755
local terms energy: -292.053289
where:
bonds (distance) C4'-P energy: -57.900
bonds (distance) P-C4' energy: -55.322
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -71.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -856.020635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.020635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.020635 (E_RNA)
where:
Base-Base interactions energy: -566.292
where: short stacking energy: -246.149
Base-Backbone interact. energy: -1.287
local terms energy: -288.441911
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -67.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -827.380792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.380792 (E_RNA)
where:
Base-Base interactions energy: -559.018
where: short stacking energy: -233.465
Base-Backbone interact. energy: -1.616
local terms energy: -266.747162
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -60.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -625.252072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.252072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.252072 (E_RNA)
where:
Base-Base interactions energy: -415.337
where: short stacking energy: -184.197
Base-Backbone interact. energy: 1.757
local terms energy: -211.672281
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -481.203205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.203205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.203205 (E_RNA)
where:
Base-Base interactions energy: -290.351
where: short stacking energy: -125.557
Base-Backbone interact. energy: -0.219
local terms energy: -190.633397
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -42.678
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1123.383998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.383998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.383998 (E_RNA)
where:
Base-Base interactions energy: -778.707
where: short stacking energy: -335.453
Base-Backbone interact. energy: -1.237
local terms energy: -343.440441
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -64.721
flat angles C4'-P-C4' energy: -68.998
flat angles P-C4'-P energy: -52.178
tors. eta vs tors. theta energy: -99.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1154.427744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.427744 (E_RNA)
where:
Base-Base interactions energy: -825.031
where: short stacking energy: -340.889
Base-Backbone interact. energy: -0.120
local terms energy: -329.276671
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -98.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1078.583587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.583587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.583587 (E_RNA)
where:
Base-Base interactions energy: -761.097
where: short stacking energy: -320.775
Base-Backbone interact. energy: -1.214
local terms energy: -316.272130
where:
bonds (distance) C4'-P energy: -54.252
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -68.249
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -90.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1013.826402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.826402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.826402 (E_RNA)
where:
Base-Base interactions energy: -712.704
where: short stacking energy: -320.866
Base-Backbone interact. energy: -0.593
local terms energy: -300.529656
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -49.626
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -40.440
tors. eta vs tors. theta energy: -88.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -994.669311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.669311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.669311 (E_RNA)
where:
Base-Base interactions energy: -686.415
where: short stacking energy: -302.320
Base-Backbone interact. energy: 0.103
local terms energy: -308.356858
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -62.978
flat angles C4'-P-C4' energy: -63.459
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -82.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -888.842035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.842035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.842035 (E_RNA)
where:
Base-Base interactions energy: -603.577
where: short stacking energy: -258.964
Base-Backbone interact. energy: -0.944
local terms energy: -284.321331
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -60.508
flat angles C4'-P-C4' energy: -66.419
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -74.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -842.234574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.234574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.234574 (E_RNA)
where:
Base-Base interactions energy: -591.812
where: short stacking energy: -241.844
Base-Backbone interact. energy: -1.796
local terms energy: -248.626968
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -29.402
tors. eta vs tors. theta energy: -57.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -855.052921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.052921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.052921 (E_RNA)
where:
Base-Base interactions energy: -580.482
where: short stacking energy: -245.900
Base-Backbone interact. energy: -1.167
local terms energy: -273.404593
where:
bonds (distance) C4'-P energy: -47.901
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -68.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -609.928335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.928335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.928335 (E_RNA)
where:
Base-Base interactions energy: -405.315
where: short stacking energy: -177.112
Base-Backbone interact. energy: -1.671
local terms energy: -202.942118
where:
bonds (distance) C4'-P energy: -56.716
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -43.941
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -483.097661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.097661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.097661 (E_RNA)
where:
Base-Base interactions energy: -298.522
where: short stacking energy: -141.628
Base-Backbone interact. energy: 1.135
local terms energy: -185.709900
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1193.540661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.540661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.540661 (E_RNA)
where:
Base-Base interactions energy: -846.690
where: short stacking energy: -360.130
Base-Backbone interact. energy: -2.110
local terms energy: -344.740222
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -61.920
flat angles C4'-P-C4' energy: -73.054
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -105.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1121.626325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.626325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.626325 (E_RNA)
where:
Base-Base interactions energy: -796.546
where: short stacking energy: -343.675
Base-Backbone interact. energy: -1.149
local terms energy: -323.931218
where:
bonds (distance) C4'-P energy: -68.223
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -96.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1067.042003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.042003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.042003 (E_RNA)
where:
Base-Base interactions energy: -752.307
where: short stacking energy: -312.186
Base-Backbone interact. energy: 1.894
local terms energy: -316.629014
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -94.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1025.365160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.365160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.365160 (E_RNA)
where:
Base-Base interactions energy: -713.702
where: short stacking energy: -304.497
Base-Backbone interact. energy: -0.787
local terms energy: -310.876842
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -54.552
flat angles C4'-P-C4' energy: -68.272
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -87.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -983.691358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.691358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.691358 (E_RNA)
where:
Base-Base interactions energy: -695.496
where: short stacking energy: -299.370
Base-Backbone interact. energy: -0.612
local terms energy: -287.583226
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -56.185
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -78.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -913.305985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.305985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.305985 (E_RNA)
where:
Base-Base interactions energy: -619.928
where: short stacking energy: -280.589
Base-Backbone interact. energy: 0.519
local terms energy: -293.896151
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -73.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -862.047368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.047368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.047368 (E_RNA)
where:
Base-Base interactions energy: -597.181
where: short stacking energy: -266.588
Base-Backbone interact. energy: -1.241
local terms energy: -263.625444
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -74.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -818.886000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.886000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.886000 (E_RNA)
where:
Base-Base interactions energy: -578.833
where: short stacking energy: -234.187
Base-Backbone interact. energy: -2.001
local terms energy: -238.051492
where:
bonds (distance) C4'-P energy: -45.587
bonds (distance) P-C4' energy: -50.511
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -25.548
tors. eta vs tors. theta energy: -62.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -554.172467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.172467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.172467 (E_RNA)
where:
Base-Base interactions energy: -344.062
where: short stacking energy: -156.742
Base-Backbone interact. energy: -0.735
local terms energy: -209.375742
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -50.064
flat angles C4'-P-C4' energy: -50.973
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -33.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -479.483051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.483051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.483051 (E_RNA)
where:
Base-Base interactions energy: -296.193
where: short stacking energy: -139.516
Base-Backbone interact. energy: 0.630
local terms energy: -183.920493
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1190.067656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.067656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.067656 (E_RNA)
where:
Base-Base interactions energy: -842.782
where: short stacking energy: -360.284
Base-Backbone interact. energy: -1.149
local terms energy: -346.137112
where:
bonds (distance) C4'-P energy: -63.587
bonds (distance) P-C4' energy: -66.247
flat angles C4'-P-C4' energy: -70.637
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -104.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1113.274179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.274179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.274179 (E_RNA)
where:
Base-Base interactions energy: -791.221
where: short stacking energy: -337.722
Base-Backbone interact. energy: -1.034
local terms energy: -321.019646
where:
bonds (distance) C4'-P energy: -62.652
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -55.662
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -101.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1074.498485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.498485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.498485 (E_RNA)
where:
Base-Base interactions energy: -747.994
where: short stacking energy: -317.865
Base-Backbone interact. energy: -1.374
local terms energy: -325.129827
where:
bonds (distance) C4'-P energy: -61.308
bonds (distance) P-C4' energy: -61.760
flat angles C4'-P-C4' energy: -64.639
flat angles P-C4'-P energy: -48.842
tors. eta vs tors. theta energy: -88.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1007.670858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.670858 (E_RNA)
where:
Base-Base interactions energy: -702.186
where: short stacking energy: -294.733
Base-Backbone interact. energy: -0.888
local terms energy: -304.597292
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -62.276
flat angles C4'-P-C4' energy: -60.240
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -86.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -988.101825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.101825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.101825 (E_RNA)
where:
Base-Base interactions energy: -680.080
where: short stacking energy: -288.590
Base-Backbone interact. energy: -0.218
local terms energy: -307.804050
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -51.501
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -47.229
tors. eta vs tors. theta energy: -79.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -893.478437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.478437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.478437 (E_RNA)
where:
Base-Base interactions energy: -604.337
where: short stacking energy: -271.645
Base-Backbone interact. energy: -1.148
local terms energy: -287.994334
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -56.358
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -83.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -898.052791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.052791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.052791 (E_RNA)
where:
Base-Base interactions energy: -596.503
where: short stacking energy: -264.628
Base-Backbone interact. energy: -2.113
local terms energy: -299.437053
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -59.321
flat angles C4'-P-C4' energy: -68.334
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -80.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -795.236310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.236310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.236310 (E_RNA)
where:
Base-Base interactions energy: -551.512
where: short stacking energy: -234.756
Base-Backbone interact. energy: -0.762
local terms energy: -242.961618
where:
bonds (distance) C4'-P energy: -41.828
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -60.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -565.546246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.546246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.546246 (E_RNA)
where:
Base-Base interactions energy: -361.931
where: short stacking energy: -156.796
Base-Backbone interact. energy: -2.272
local terms energy: -201.343401
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -485.152140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.152140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.152140 (E_RNA)
where:
Base-Base interactions energy: -299.473
where: short stacking energy: -137.931
Base-Backbone interact. energy: -0.942
local terms energy: -184.737185
where:
bonds (distance) C4'-P energy: -43.172
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -47.161
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1205.397062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.397062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.397062 (E_RNA)
where:
Base-Base interactions energy: -853.226
where: short stacking energy: -368.106
Base-Backbone interact. energy: -2.099
local terms energy: -350.072110
where:
bonds (distance) C4'-P energy: -56.097
bonds (distance) P-C4' energy: -67.553
flat angles C4'-P-C4' energy: -71.118
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -103.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1121.662224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.662224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.662224 (E_RNA)
where:
Base-Base interactions energy: -779.632
where: short stacking energy: -334.758
Base-Backbone interact. energy: -1.754
local terms energy: -340.277064
where:
bonds (distance) C4'-P energy: -64.268
bonds (distance) P-C4' energy: -60.617
flat angles C4'-P-C4' energy: -70.827
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -99.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1071.666600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.666600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.666600 (E_RNA)
where:
Base-Base interactions energy: -753.832
where: short stacking energy: -321.387
Base-Backbone interact. energy: -0.835
local terms energy: -316.999071
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -70.755
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -89.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -992.467303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.467303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.467303 (E_RNA)
where:
Base-Base interactions energy: -692.628
where: short stacking energy: -290.143
Base-Backbone interact. energy: -1.108
local terms energy: -298.731121
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -63.841
flat angles P-C4'-P energy: -47.851
tors. eta vs tors. theta energy: -84.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -990.983262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.983262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.983262 (E_RNA)
where:
Base-Base interactions energy: -680.278
where: short stacking energy: -299.888
Base-Backbone interact. energy: 1.548
local terms energy: -312.253981
where:
bonds (distance) C4'-P energy: -58.501
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -69.632
flat angles P-C4'-P energy: -42.667
tors. eta vs tors. theta energy: -84.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -881.766638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.766638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.766638 (E_RNA)
where:
Base-Base interactions energy: -594.965
where: short stacking energy: -254.566
Base-Backbone interact. energy: -0.441
local terms energy: -286.361106
where:
bonds (distance) C4'-P energy: -56.430
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: -77.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -893.419243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.419243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.419243 (E_RNA)
where:
Base-Base interactions energy: -605.616
where: short stacking energy: -271.486
Base-Backbone interact. energy: -2.084
local terms energy: -285.719317
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -54.100
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -83.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -813.109631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.109631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.109631 (E_RNA)
where:
Base-Base interactions energy: -531.140
where: short stacking energy: -227.765
Base-Backbone interact. energy: -0.303
local terms energy: -281.667239
where:
bonds (distance) C4'-P energy: -57.377
bonds (distance) P-C4' energy: -61.496
flat angles C4'-P-C4' energy: -61.031
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -63.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -567.994471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.994471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.994471 (E_RNA)
where:
Base-Base interactions energy: -366.759
where: short stacking energy: -172.384
Base-Backbone interact. energy: -1.450
local terms energy: -199.785825
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -30.586
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -484.662145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.662145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.662145 (E_RNA)
where:
Base-Base interactions energy: -274.330
where: short stacking energy: -151.808
Base-Backbone interact. energy: 3.251
local terms energy: -213.583235
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -52.156
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -25.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1188.215704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.215704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.215704 (E_RNA)
where:
Base-Base interactions energy: -838.203
where: short stacking energy: -367.819
Base-Backbone interact. energy: -1.940
local terms energy: -348.072203
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -75.263
flat angles P-C4'-P energy: -51.744
tors. eta vs tors. theta energy: -106.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1116.595108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.595108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.595108 (E_RNA)
where:
Base-Base interactions energy: -778.192
where: short stacking energy: -342.598
Base-Backbone interact. energy: -0.503
local terms energy: -337.899998
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -63.732
flat angles C4'-P-C4' energy: -65.332
flat angles P-C4'-P energy: -51.767
tors. eta vs tors. theta energy: -101.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1054.764471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.764471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.764471 (E_RNA)
where:
Base-Base interactions energy: -743.678
where: short stacking energy: -309.958
Base-Backbone interact. energy: -0.576
local terms energy: -310.510411
where:
bonds (distance) C4'-P energy: -49.499
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -89.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1006.184836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.184836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.184836 (E_RNA)
where:
Base-Base interactions energy: -699.410
where: short stacking energy: -297.578
Base-Backbone interact. energy: -0.194
local terms energy: -306.580758
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -70.934
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -84.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -964.849312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.849312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.849312 (E_RNA)
where:
Base-Base interactions energy: -666.510
where: short stacking energy: -282.940
Base-Backbone interact. energy: -0.342
local terms energy: -297.997816
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -61.573
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -80.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -918.407345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.407345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.407345 (E_RNA)
where:
Base-Base interactions energy: -621.103
where: short stacking energy: -281.837
Base-Backbone interact. energy: -1.735
local terms energy: -295.568829
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -54.283
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -833.529802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.529802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.529802 (E_RNA)
where:
Base-Base interactions energy: -576.386
where: short stacking energy: -267.883
Base-Backbone interact. energy: -0.476
local terms energy: -256.667572
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -77.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -787.594413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.594413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.594413 (E_RNA)
where:
Base-Base interactions energy: -534.249
where: short stacking energy: -237.199
Base-Backbone interact. energy: -1.615
local terms energy: -251.729683
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -53.077
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -61.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -561.234221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.234221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.234221 (E_RNA)
where:
Base-Base interactions energy: -352.448
where: short stacking energy: -159.861
Base-Backbone interact. energy: 0.016
local terms energy: -208.802497
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -51.593
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -25.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -472.756610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.756610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.756610 (E_RNA)
where:
Base-Base interactions energy: -302.010
where: short stacking energy: -149.628
Base-Backbone interact. energy: -1.078
local terms energy: -169.668973
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -40.458
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1192.425835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.425835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.425835 (E_RNA)
where:
Base-Base interactions energy: -848.228
where: short stacking energy: -365.952
Base-Backbone interact. energy: -0.950
local terms energy: -343.248009
where:
bonds (distance) C4'-P energy: -60.037
bonds (distance) P-C4' energy: -62.748
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -100.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1127.059764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.059764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.059764 (E_RNA)
where:
Base-Base interactions energy: -796.653
where: short stacking energy: -340.924
Base-Backbone interact. energy: -0.819
local terms energy: -329.587605
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -66.638
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -98.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1054.135126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.135126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.135126 (E_RNA)
where:
Base-Base interactions energy: -746.177
where: short stacking energy: -308.715
Base-Backbone interact. energy: -1.767
local terms energy: -306.191241
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -61.169
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -89.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -983.479224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.479224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.479224 (E_RNA)
where:
Base-Base interactions energy: -681.957
where: short stacking energy: -293.305
Base-Backbone interact. energy: -0.269
local terms energy: -301.252914
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -52.089
flat angles C4'-P-C4' energy: -67.123
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -977.609336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.609336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.609336 (E_RNA)
where:
Base-Base interactions energy: -681.403
where: short stacking energy: -296.691
Base-Backbone interact. energy: -0.271
local terms energy: -295.935775
where:
bonds (distance) C4'-P energy: -48.117
bonds (distance) P-C4' energy: -59.566
flat angles C4'-P-C4' energy: -67.848
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -78.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -884.296194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.296194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.296194 (E_RNA)
where:
Base-Base interactions energy: -626.325
where: short stacking energy: -281.487
Base-Backbone interact. energy: -0.299
local terms energy: -257.671988
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -45.680
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -70.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -829.247404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.247404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.247404 (E_RNA)
where:
Base-Base interactions energy: -565.216
where: short stacking energy: -232.676
Base-Backbone interact. energy: -1.390
local terms energy: -262.641552
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -56.892
flat angles C4'-P-C4' energy: -59.322
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -66.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -786.302701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.302701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.302701 (E_RNA)
where:
Base-Base interactions energy: -531.513
where: short stacking energy: -224.777
Base-Backbone interact. energy: 0.001
local terms energy: -254.790755
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -56.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -564.408660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.408660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.408660 (E_RNA)
where:
Base-Base interactions energy: -350.396
where: short stacking energy: -163.513
Base-Backbone interact. energy: -0.745
local terms energy: -213.267429
where:
bonds (distance) C4'-P energy: -50.621
bonds (distance) P-C4' energy: -48.756
flat angles C4'-P-C4' energy: -60.039
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -488.471363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.471363 (E_RNA)
where:
Base-Base interactions energy: -297.384
where: short stacking energy: -147.508
Base-Backbone interact. energy: -0.341
local terms energy: -190.746331
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1184.931914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.931914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.931914 (E_RNA)
where:
Base-Base interactions energy: -837.986
where: short stacking energy: -348.225
Base-Backbone interact. energy: -1.347
local terms energy: -345.598781
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -64.178
flat angles C4'-P-C4' energy: -70.187
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -100.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1102.393295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.393295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.393295 (E_RNA)
where:
Base-Base interactions energy: -771.208
where: short stacking energy: -332.125
Base-Backbone interact. energy: -0.981
local terms energy: -330.204401
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -53.467
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -104.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1056.926733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.926733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.926733 (E_RNA)
where:
Base-Base interactions energy: -739.403
where: short stacking energy: -295.568
Base-Backbone interact. energy: -3.275
local terms energy: -314.248233
where:
bonds (distance) C4'-P energy: -58.782
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -67.831
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -84.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -982.274052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.274052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.274052 (E_RNA)
where:
Base-Base interactions energy: -682.689
where: short stacking energy: -302.644
Base-Backbone interact. energy: 0.420
local terms energy: -300.004471
where:
bonds (distance) C4'-P energy: -48.397
bonds (distance) P-C4' energy: -59.869
flat angles C4'-P-C4' energy: -68.709
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -79.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -963.554652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.554652 (E_RNA)
where:
Base-Base interactions energy: -660.214
where: short stacking energy: -279.337
Base-Backbone interact. energy: -0.285
local terms energy: -303.055528
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -78.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -902.547373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.547373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.547373 (E_RNA)
where:
Base-Base interactions energy: -623.066
where: short stacking energy: -272.776
Base-Backbone interact. energy: -0.532
local terms energy: -278.949361
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -80.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -819.209355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.209355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.209355 (E_RNA)
where:
Base-Base interactions energy: -569.875
where: short stacking energy: -245.693
Base-Backbone interact. energy: -1.050
local terms energy: -248.284810
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -49.053
flat angles C4'-P-C4' energy: -59.892
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -56.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -784.297361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.297361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.297361 (E_RNA)
where:
Base-Base interactions energy: -535.127
where: short stacking energy: -210.580
Base-Backbone interact. energy: -1.692
local terms energy: -247.478152
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -54.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -554.694169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.694169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.694169 (E_RNA)
where:
Base-Base interactions energy: -340.509
where: short stacking energy: -159.622
Base-Backbone interact. energy: -1.017
local terms energy: -213.168363
where:
bonds (distance) C4'-P energy: -49.563
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -44.962
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -476.099506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.099506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.099506 (E_RNA)
where:
Base-Base interactions energy: -277.874
where: short stacking energy: -135.499
Base-Backbone interact. energy: 0.052
local terms energy: -198.277345
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -55.544
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1181.531748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.531748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.531748 (E_RNA)
where:
Base-Base interactions energy: -855.982
where: short stacking energy: -367.805
Base-Backbone interact. energy: -3.299
local terms energy: -322.250721
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -64.140
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -99.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1113.711716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.711716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.711716 (E_RNA)
where:
Base-Base interactions energy: -786.152
where: short stacking energy: -332.461
Base-Backbone interact. energy: 0.888
local terms energy: -328.448037
where:
bonds (distance) C4'-P energy: -53.826
bonds (distance) P-C4' energy: -62.453
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -97.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1066.984450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.984450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.984450 (E_RNA)
where:
Base-Base interactions energy: -751.714
where: short stacking energy: -309.845
Base-Backbone interact. energy: -1.126
local terms energy: -314.144997
where:
bonds (distance) C4'-P energy: -55.941
bonds (distance) P-C4' energy: -58.897
flat angles C4'-P-C4' energy: -63.990
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -90.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1000.067228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.067228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.067228 (E_RNA)
where:
Base-Base interactions energy: -688.802
where: short stacking energy: -297.926
Base-Backbone interact. energy: -0.770
local terms energy: -310.495210
where:
bonds (distance) C4'-P energy: -58.194
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: -85.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -968.064950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.064950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.064950 (E_RNA)
where:
Base-Base interactions energy: -668.297
where: short stacking energy: -282.522
Base-Backbone interact. energy: -3.103
local terms energy: -296.665327
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -53.408
flat angles C4'-P-C4' energy: -60.405
flat angles P-C4'-P energy: -51.714
tors. eta vs tors. theta energy: -74.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -917.551065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.551065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.551065 (E_RNA)
where:
Base-Base interactions energy: -641.535
where: short stacking energy: -282.262
Base-Backbone interact. energy: -0.310
local terms energy: -275.705763
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -85.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -802.002460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.002460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.002460 (E_RNA)
where:
Base-Base interactions energy: -534.923
where: short stacking energy: -219.388
Base-Backbone interact. energy: 3.574
local terms energy: -270.653315
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -63.763
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -56.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -795.067850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.067850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.067850 (E_RNA)
where:
Base-Base interactions energy: -555.251
where: short stacking energy: -235.121
Base-Backbone interact. energy: -1.062
local terms energy: -238.754456
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -58.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -525.560956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.560956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.560956 (E_RNA)
where:
Base-Base interactions energy: -328.080
where: short stacking energy: -152.063
Base-Backbone interact. energy: -1.719
local terms energy: -195.761962
where:
bonds (distance) C4'-P energy: -57.212
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -50.848
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -484.446042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.446042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.446042 (E_RNA)
where:
Base-Base interactions energy: -318.366
where: short stacking energy: -140.681
Base-Backbone interact. energy: -0.891
local terms energy: -165.189093
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -45.333
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1196.840259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.840259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.840259 (E_RNA)
where:
Base-Base interactions energy: -855.997
where: short stacking energy: -378.274
Base-Backbone interact. energy: -0.581
local terms energy: -340.261984
where:
bonds (distance) C4'-P energy: -57.470
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -68.469
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -104.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1094.785845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.785845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.785845 (E_RNA)
where:
Base-Base interactions energy: -767.906
where: short stacking energy: -312.863
Base-Backbone interact. energy: -1.648
local terms energy: -325.231773
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -64.900
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -89.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1091.376214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.376214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.376214 (E_RNA)
where:
Base-Base interactions energy: -753.923
where: short stacking energy: -330.494
Base-Backbone interact. energy: -1.306
local terms energy: -336.147111
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -47.882
tors. eta vs tors. theta energy: -95.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -982.881004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.881004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.881004 (E_RNA)
where:
Base-Base interactions energy: -678.501
where: short stacking energy: -288.114
Base-Backbone interact. energy: 1.285
local terms energy: -305.664989
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -71.394
flat angles P-C4'-P energy: -49.350
tors. eta vs tors. theta energy: -75.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -997.966666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.966666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.966666 (E_RNA)
where:
Base-Base interactions energy: -696.058
where: short stacking energy: -307.823
Base-Backbone interact. energy: -0.242
local terms energy: -301.666604
where:
bonds (distance) C4'-P energy: -53.350
bonds (distance) P-C4' energy: -56.350
flat angles C4'-P-C4' energy: -60.446
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -89.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -948.643258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.643258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.643258 (E_RNA)
where:
Base-Base interactions energy: -652.869
where: short stacking energy: -294.539
Base-Backbone interact. energy: -1.132
local terms energy: -294.642541
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -58.472
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -90.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -821.112327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.112327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.112327 (E_RNA)
where:
Base-Base interactions energy: -539.643
where: short stacking energy: -253.392
Base-Backbone interact. energy: 0.923
local terms energy: -282.391732
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -58.031
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -72.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -803.925421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.925421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.925421 (E_RNA)
where:
Base-Base interactions energy: -542.391
where: short stacking energy: -242.865
Base-Backbone interact. energy: -0.879
local terms energy: -260.654780
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -56.495
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -40.370
tors. eta vs tors. theta energy: -63.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -531.823573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.823573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.823573 (E_RNA)
where:
Base-Base interactions energy: -327.901
where: short stacking energy: -146.587
Base-Backbone interact. energy: 0.806
local terms energy: -204.728384
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -45.628
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -473.626056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.626056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.626056 (E_RNA)
where:
Base-Base interactions energy: -273.733
where: short stacking energy: -119.511
Base-Backbone interact. energy: -1.693
local terms energy: -198.200030
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -48.127
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1185.647066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.647066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.647066 (E_RNA)
where:
Base-Base interactions energy: -848.141
where: short stacking energy: -364.609
Base-Backbone interact. energy: 1.237
local terms energy: -338.743498
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -55.792
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -43.826
tors. eta vs tors. theta energy: -100.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1086.002785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.002785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.002785 (E_RNA)
where:
Base-Base interactions energy: -757.847
where: short stacking energy: -311.219
Base-Backbone interact. energy: -0.294
local terms energy: -327.861832
where:
bonds (distance) C4'-P energy: -60.073
bonds (distance) P-C4' energy: -64.497
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -84.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1086.774555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.774555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.774555 (E_RNA)
where:
Base-Base interactions energy: -747.857
where: short stacking energy: -324.387
Base-Backbone interact. energy: -0.084
local terms energy: -338.833351
where:
bonds (distance) C4'-P energy: -66.141
bonds (distance) P-C4' energy: -65.247
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -97.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1007.951017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.951017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.951017 (E_RNA)
where:
Base-Base interactions energy: -692.695
where: short stacking energy: -301.964
Base-Backbone interact. energy: -1.053
local terms energy: -314.203411
where:
bonds (distance) C4'-P energy: -57.037
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -66.379
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -85.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -970.695735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.695735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.695735 (E_RNA)
where:
Base-Base interactions energy: -696.531
where: short stacking energy: -305.682
Base-Backbone interact. energy: 0.598
local terms energy: -274.762628
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -44.035
flat angles C4'-P-C4' energy: -61.463
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -78.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -940.621791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.621791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.621791 (E_RNA)
where:
Base-Base interactions energy: -655.540
where: short stacking energy: -294.097
Base-Backbone interact. energy: 0.341
local terms energy: -285.423426
where:
bonds (distance) C4'-P energy: -52.666
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -57.878
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -83.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -830.113918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.113918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.113918 (E_RNA)
where:
Base-Base interactions energy: -565.041
where: short stacking energy: -248.968
Base-Backbone interact. energy: -0.177
local terms energy: -264.895643
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -50.624
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -44.377
tors. eta vs tors. theta energy: -63.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -769.445419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.445419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.445419 (E_RNA)
where:
Base-Base interactions energy: -526.026
where: short stacking energy: -212.091
Base-Backbone interact. energy: -1.477
local terms energy: -241.941677
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -54.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -500.536850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.536850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.536850 (E_RNA)
where:
Base-Base interactions energy: -306.128
where: short stacking energy: -138.666
Base-Backbone interact. energy: -1.802
local terms energy: -192.607133
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -46.890
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -464.831059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.831059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.831059 (E_RNA)
where:
Base-Base interactions energy: -268.606
where: short stacking energy: -124.168
Base-Backbone interact. energy: -0.474
local terms energy: -195.750952
where:
bonds (distance) C4'-P energy: -49.190
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1195.678044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.678044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.678044 (E_RNA)
where:
Base-Base interactions energy: -850.910
where: short stacking energy: -364.741
Base-Backbone interact. energy: -0.866
local terms energy: -343.902546
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -74.434
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -103.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1123.261845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.261845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.261845 (E_RNA)
where:
Base-Base interactions energy: -790.008
where: short stacking energy: -347.770
Base-Backbone interact. energy: 2.640
local terms energy: -335.894676
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -66.861
flat angles P-C4'-P energy: -52.711
tors. eta vs tors. theta energy: -95.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1076.218109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.218109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.218109 (E_RNA)
where:
Base-Base interactions energy: -750.356
where: short stacking energy: -322.489
Base-Backbone interact. energy: -1.577
local terms energy: -324.284990
where:
bonds (distance) C4'-P energy: -59.686
bonds (distance) P-C4' energy: -64.711
flat angles C4'-P-C4' energy: -70.569
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -85.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1008.585461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.585461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.585461 (E_RNA)
where:
Base-Base interactions energy: -703.691
where: short stacking energy: -298.627
Base-Backbone interact. energy: -0.698
local terms energy: -304.197272
where:
bonds (distance) C4'-P energy: -64.015
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -87.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -973.673795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.673795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.673795 (E_RNA)
where:
Base-Base interactions energy: -688.651
where: short stacking energy: -295.278
Base-Backbone interact. energy: -0.823
local terms energy: -284.199568
where:
bonds (distance) C4'-P energy: -54.666
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -56.660
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -78.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -911.095828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.095828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.095828 (E_RNA)
where:
Base-Base interactions energy: -627.556
where: short stacking energy: -275.846
Base-Backbone interact. energy: -0.997
local terms energy: -282.543620
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -76.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -845.893232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.893232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.893232 (E_RNA)
where:
Base-Base interactions energy: -574.865
where: short stacking energy: -266.038
Base-Backbone interact. energy: -0.634
local terms energy: -270.394794
where:
bonds (distance) C4'-P energy: -44.767
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -49.609
tors. eta vs tors. theta energy: -68.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -766.017130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.017130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.017130 (E_RNA)
where:
Base-Base interactions energy: -508.258
where: short stacking energy: -236.866
Base-Backbone interact. energy: -1.263
local terms energy: -256.495784
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -61.688
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -50.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -522.422171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.422171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.422171 (E_RNA)
where:
Base-Base interactions energy: -327.479
where: short stacking energy: -150.729
Base-Backbone interact. energy: -0.523
local terms energy: -194.420935
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -476.221834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.221834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.221834 (E_RNA)
where:
Base-Base interactions energy: -284.454
where: short stacking energy: -117.131
Base-Backbone interact. energy: 0.120
local terms energy: -191.888452
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1187.385225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.385225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.385225 (E_RNA)
where:
Base-Base interactions energy: -853.152
where: short stacking energy: -359.483
Base-Backbone interact. energy: -0.979
local terms energy: -333.254180
where:
bonds (distance) C4'-P energy: -63.717
bonds (distance) P-C4' energy: -62.775
flat angles C4'-P-C4' energy: -64.651
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -96.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1109.839635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.839635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.839635 (E_RNA)
where:
Base-Base interactions energy: -767.918
where: short stacking energy: -336.158
Base-Backbone interact. energy: -1.326
local terms energy: -340.595458
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -65.212
flat angles C4'-P-C4' energy: -70.464
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -99.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1022.801651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.801651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.801651 (E_RNA)
where:
Base-Base interactions energy: -694.641
where: short stacking energy: -315.974
Base-Backbone interact. energy: -0.867
local terms energy: -327.293201
where:
bonds (distance) C4'-P energy: -64.922
bonds (distance) P-C4' energy: -64.574
flat angles C4'-P-C4' energy: -69.902
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -86.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1051.705460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.705460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.705460 (E_RNA)
where:
Base-Base interactions energy: -756.514
where: short stacking energy: -310.456
Base-Backbone interact. energy: 1.921
local terms energy: -297.112446
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -63.852
flat angles P-C4'-P energy: -45.245
tors. eta vs tors. theta energy: -78.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -996.359587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.359587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.359587 (E_RNA)
where:
Base-Base interactions energy: -685.472
where: short stacking energy: -294.391
Base-Backbone interact. energy: 0.041
local terms energy: -310.928708
where:
bonds (distance) C4'-P energy: -53.388
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -68.456
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -82.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -907.078634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.078634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.078634 (E_RNA)
where:
Base-Base interactions energy: -615.122
where: short stacking energy: -277.707
Base-Backbone interact. energy: -0.390
local terms energy: -291.567427
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -46.702
tors. eta vs tors. theta energy: -83.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -848.495647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.495647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.495647 (E_RNA)
where:
Base-Base interactions energy: -568.453
where: short stacking energy: -258.308
Base-Backbone interact. energy: -0.987
local terms energy: -279.056252
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -44.855
tors. eta vs tors. theta energy: -61.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -740.445793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.445793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.445793 (E_RNA)
where:
Base-Base interactions energy: -485.967
where: short stacking energy: -214.522
Base-Backbone interact. energy: -0.846
local terms energy: -253.633221
where:
bonds (distance) C4'-P energy: -52.693
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -45.016
tors. eta vs tors. theta energy: -49.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -529.871019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.871019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.871019 (E_RNA)
where:
Base-Base interactions energy: -305.773
where: short stacking energy: -141.183
Base-Backbone interact. energy: -1.822
local terms energy: -222.275776
where:
bonds (distance) C4'-P energy: -57.606
bonds (distance) P-C4' energy: -60.860
flat angles C4'-P-C4' energy: -52.116
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -525.585373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.585373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.585373 (E_RNA)
where:
Base-Base interactions energy: -307.028
where: short stacking energy: -150.259
Base-Backbone interact. energy: -0.960
local terms energy: -217.597081
where:
bonds (distance) C4'-P energy: -58.515
bonds (distance) P-C4' energy: -47.936
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -32.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1191.477456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.477456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.477456 (E_RNA)
where:
Base-Base interactions energy: -849.416
where: short stacking energy: -358.965
Base-Backbone interact. energy: -0.737
local terms energy: -341.324289
where:
bonds (distance) C4'-P energy: -60.905
bonds (distance) P-C4' energy: -64.113
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -101.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1115.480120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.480120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.480120 (E_RNA)
where:
Base-Base interactions energy: -795.346
where: short stacking energy: -349.005
Base-Backbone interact. energy: -1.408
local terms energy: -318.725646
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -51.219
flat angles C4'-P-C4' energy: -74.470
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -102.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1030.527769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.527769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.527769 (E_RNA)
where:
Base-Base interactions energy: -727.762
where: short stacking energy: -324.188
Base-Backbone interact. energy: 0.964
local terms energy: -303.729597
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -37.710
tors. eta vs tors. theta energy: -90.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1036.004244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.004244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.004244 (E_RNA)
where:
Base-Base interactions energy: -742.403
where: short stacking energy: -308.132
Base-Backbone interact. energy: 3.063
local terms energy: -296.664267
where:
bonds (distance) C4'-P energy: -64.515
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -78.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -994.662359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.662359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.662359 (E_RNA)
where:
Base-Base interactions energy: -699.364
where: short stacking energy: -298.965
Base-Backbone interact. energy: -0.934
local terms energy: -294.364572
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -59.394
flat angles C4'-P-C4' energy: -66.853
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -77.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -899.149104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.149104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.149104 (E_RNA)
where:
Base-Base interactions energy: -615.715
where: short stacking energy: -263.148
Base-Backbone interact. energy: -0.286
local terms energy: -283.148514
where:
bonds (distance) C4'-P energy: -52.840
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -80.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -847.431994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.431994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.431994 (E_RNA)
where:
Base-Base interactions energy: -582.577
where: short stacking energy: -256.497
Base-Backbone interact. energy: -1.692
local terms energy: -263.162887
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -53.129
flat angles C4'-P-C4' energy: -62.385
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -58.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -726.075038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.075038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.075038 (E_RNA)
where:
Base-Base interactions energy: -488.611
where: short stacking energy: -228.698
Base-Backbone interact. energy: 3.038
local terms energy: -240.501774
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -50.293
flat angles C4'-P-C4' energy: -62.177
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -54.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -530.548784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.548784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.548784 (E_RNA)
where:
Base-Base interactions energy: -332.088
where: short stacking energy: -150.960
Base-Backbone interact. energy: -0.744
local terms energy: -197.715862
where:
bonds (distance) C4'-P energy: -51.128
bonds (distance) P-C4' energy: -43.315
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -30.551
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -504.541557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.541557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.541557 (E_RNA)
where:
Base-Base interactions energy: -308.091
where: short stacking energy: -141.315
Base-Backbone interact. energy: 4.205
local terms energy: -200.656101
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1198.807732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.807732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.807732 (E_RNA)
where:
Base-Base interactions energy: -849.198
where: short stacking energy: -360.748
Base-Backbone interact. energy: -2.285
local terms energy: -347.324510
where:
bonds (distance) C4'-P energy: -66.490
bonds (distance) P-C4' energy: -62.735
flat angles C4'-P-C4' energy: -68.996
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -107.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1115.133137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.133137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.133137 (E_RNA)
where:
Base-Base interactions energy: -778.572
where: short stacking energy: -326.528
Base-Backbone interact. energy: 0.305
local terms energy: -336.866714
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -68.291
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -42.939
tors. eta vs tors. theta energy: -95.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1069.275238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.275238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.275238 (E_RNA)
where:
Base-Base interactions energy: -752.874
where: short stacking energy: -314.902
Base-Backbone interact. energy: -2.962
local terms energy: -313.438902
where:
bonds (distance) C4'-P energy: -61.411
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -67.372
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -81.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -978.423340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.423340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.423340 (E_RNA)
where:
Base-Base interactions energy: -681.140
where: short stacking energy: -302.130
Base-Backbone interact. energy: -0.294
local terms energy: -296.989204
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -48.672
flat angles C4'-P-C4' energy: -59.493
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -87.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -997.857046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.857046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.857046 (E_RNA)
where:
Base-Base interactions energy: -697.887
where: short stacking energy: -296.638
Base-Backbone interact. energy: -1.337
local terms energy: -298.632490
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -68.983
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -76.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -864.808420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.808420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.808420 (E_RNA)
where:
Base-Base interactions energy: -598.378
where: short stacking energy: -278.349
Base-Backbone interact. energy: 3.261
local terms energy: -269.691573
where:
bonds (distance) C4'-P energy: -55.761
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -59.262
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -78.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -881.472223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.472223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.472223 (E_RNA)
where:
Base-Base interactions energy: -614.246
where: short stacking energy: -259.489
Base-Backbone interact. energy: 2.109
local terms energy: -269.335338
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -60.381
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -67.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -707.488938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.488938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.488938 (E_RNA)
where:
Base-Base interactions energy: -466.283
where: short stacking energy: -205.225
Base-Backbone interact. energy: -0.551
local terms energy: -240.655256
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -43.477
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -50.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -516.269827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.269827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.269827 (E_RNA)
where:
Base-Base interactions energy: -329.936
where: short stacking energy: -162.556
Base-Backbone interact. energy: -1.001
local terms energy: -185.333357
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -34.670
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -36.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -546.358802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.358802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.358802 (E_RNA)
where:
Base-Base interactions energy: -353.378
where: short stacking energy: -159.850
Base-Backbone interact. energy: -1.627
local terms energy: -191.353520
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -34.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1185.405219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.405219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.405219 (E_RNA)
where:
Base-Base interactions energy: -846.588
where: short stacking energy: -368.788
Base-Backbone interact. energy: -0.741
local terms energy: -338.076883
where:
bonds (distance) C4'-P energy: -62.531
bonds (distance) P-C4' energy: -61.570
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -100.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1101.014251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.014251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.014251 (E_RNA)
where:
Base-Base interactions energy: -778.718
where: short stacking energy: -322.743
Base-Backbone interact. energy: -1.847
local terms energy: -320.449402
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -63.360
flat angles C4'-P-C4' energy: -71.417
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1086.543171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.543171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.543171 (E_RNA)
where:
Base-Base interactions energy: -778.005
where: short stacking energy: -326.485
Base-Backbone interact. energy: -0.270
local terms energy: -308.267760
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -60.066
flat angles C4'-P-C4' energy: -66.293
flat angles P-C4'-P energy: -35.027
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1017.469149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.469149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.469149 (E_RNA)
where:
Base-Base interactions energy: -711.521
where: short stacking energy: -293.358
Base-Backbone interact. energy: 0.852
local terms energy: -306.800109
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -83.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -955.445904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.445904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.445904 (E_RNA)
where:
Base-Base interactions energy: -676.093
where: short stacking energy: -276.740
Base-Backbone interact. energy: -0.034
local terms energy: -279.318613
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -52.150
flat angles C4'-P-C4' energy: -65.691
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -79.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -893.463570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.463570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.463570 (E_RNA)
where:
Base-Base interactions energy: -613.338
where: short stacking energy: -251.238
Base-Backbone interact. energy: 0.719
local terms energy: -280.844556
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -59.392
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -71.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -915.915928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.915928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.915928 (E_RNA)
where:
Base-Base interactions energy: -627.829
where: short stacking energy: -273.295
Base-Backbone interact. energy: -0.727
local terms energy: -287.360200
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -65.009
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -76.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -737.972643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.972643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.972643 (E_RNA)
where:
Base-Base interactions energy: -508.480
where: short stacking energy: -206.866
Base-Backbone interact. energy: 0.129
local terms energy: -229.620810
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -53.434
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -45.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -571.761154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.761154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.761154 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -173.891
Base-Backbone interact. energy: -1.140
local terms energy: -234.081630
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -532.596451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.596451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.596451 (E_RNA)
where:
Base-Base interactions energy: -344.437
where: short stacking energy: -160.012
Base-Backbone interact. energy: -0.047
local terms energy: -188.113343
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -56.643
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1191.085681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.085681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.085681 (E_RNA)
where:
Base-Base interactions energy: -844.555
where: short stacking energy: -353.889
Base-Backbone interact. energy: 0.968
local terms energy: -347.498422
where:
bonds (distance) C4'-P energy: -63.939
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -104.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1117.665366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.665366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.665366 (E_RNA)
where:
Base-Base interactions energy: -793.978
where: short stacking energy: -321.994
Base-Backbone interact. energy: -2.036
local terms energy: -321.651901
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -66.704
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: -83.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1079.403019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.403019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.403019 (E_RNA)
where:
Base-Base interactions energy: -767.671
where: short stacking energy: -315.007
Base-Backbone interact. energy: -1.167
local terms energy: -310.565236
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -73.811
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -94.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1024.742070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.742070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.742070 (E_RNA)
where:
Base-Base interactions energy: -733.739
where: short stacking energy: -310.260
Base-Backbone interact. energy: 1.497
local terms energy: -292.499912
where:
bonds (distance) C4'-P energy: -46.581
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -69.418
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -85.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -954.209060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.209060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.209060 (E_RNA)
where:
Base-Base interactions energy: -661.857
where: short stacking energy: -279.593
Base-Backbone interact. energy: 0.969
local terms energy: -293.321641
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -887.114981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.114981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.114981 (E_RNA)
where:
Base-Base interactions energy: -617.529
where: short stacking energy: -260.191
Base-Backbone interact. energy: -0.859
local terms energy: -268.726381
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -66.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -867.667497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.667497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.667497 (E_RNA)
where:
Base-Base interactions energy: -596.406
where: short stacking energy: -256.433
Base-Backbone interact. energy: -0.994
local terms energy: -270.267752
where:
bonds (distance) C4'-P energy: -54.942
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -39.415
tors. eta vs tors. theta energy: -71.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -747.523400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.523400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.523400 (E_RNA)
where:
Base-Base interactions energy: -520.353
where: short stacking energy: -227.889
Base-Backbone interact. energy: -3.287
local terms energy: -223.883271
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -593.913678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.913678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.913678 (E_RNA)
where:
Base-Base interactions energy: -367.217
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.638
local terms energy: -226.059319
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -550.167145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.167145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.167145 (E_RNA)
where:
Base-Base interactions energy: -325.474
where: short stacking energy: -168.401
Base-Backbone interact. energy: -0.976
local terms energy: -223.717627
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -53.233
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -39.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1186.689113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.689113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.689113 (E_RNA)
where:
Base-Base interactions energy: -828.993
where: short stacking energy: -361.231
Base-Backbone interact. energy: -0.750
local terms energy: -356.946057
where:
bonds (distance) C4'-P energy: -65.109
bonds (distance) P-C4' energy: -64.284
flat angles C4'-P-C4' energy: -74.829
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -102.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1097.212561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.212561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.212561 (E_RNA)
where:
Base-Base interactions energy: -767.660
where: short stacking energy: -323.776
Base-Backbone interact. energy: -0.445
local terms energy: -329.107276
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -95.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1077.971342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.971342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.971342 (E_RNA)
where:
Base-Base interactions energy: -753.821
where: short stacking energy: -309.051
Base-Backbone interact. energy: -0.329
local terms energy: -323.820548
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -64.023
flat angles C4'-P-C4' energy: -63.727
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -90.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1009.462532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.462532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.462532 (E_RNA)
where:
Base-Base interactions energy: -711.656
where: short stacking energy: -289.066
Base-Backbone interact. energy: -0.700
local terms energy: -297.107097
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -66.355
flat angles C4'-P-C4' energy: -53.794
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -74.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -949.720153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.720153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.720153 (E_RNA)
where:
Base-Base interactions energy: -660.917
where: short stacking energy: -296.213
Base-Backbone interact. energy: 0.142
local terms energy: -288.945429
where:
bonds (distance) C4'-P energy: -55.091
bonds (distance) P-C4' energy: -47.877
flat angles C4'-P-C4' energy: -66.341
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -78.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -888.591883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.591883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.591883 (E_RNA)
where:
Base-Base interactions energy: -618.597
where: short stacking energy: -273.680
Base-Backbone interact. energy: -2.734
local terms energy: -267.260184
where:
bonds (distance) C4'-P energy: -60.826
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -54.024
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -79.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -854.190216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.190216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.190216 (E_RNA)
where:
Base-Base interactions energy: -586.908
where: short stacking energy: -252.761
Base-Backbone interact. energy: -0.255
local terms energy: -267.026858
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -56.785
flat angles C4'-P-C4' energy: -57.268
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -69.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -779.708939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.708939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.708939 (E_RNA)
where:
Base-Base interactions energy: -529.685
where: short stacking energy: -225.568
Base-Backbone interact. energy: -0.900
local terms energy: -249.124032
where:
bonds (distance) C4'-P energy: -45.182
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -55.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -611.438467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.438467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.438467 (E_RNA)
where:
Base-Base interactions energy: -380.784
where: short stacking energy: -177.031
Base-Backbone interact. energy: 1.755
local terms energy: -232.409310
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -48.817
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -50.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -520.848190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.848190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.848190 (E_RNA)
where:
Base-Base interactions energy: -319.118
where: short stacking energy: -139.861
Base-Backbone interact. energy: -1.471
local terms energy: -200.259025
where:
bonds (distance) C4'-P energy: -46.225
bonds (distance) P-C4' energy: -52.462
flat angles C4'-P-C4' energy: -41.230
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1187.672247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.672247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.672247 (E_RNA)
where:
Base-Base interactions energy: -854.498
where: short stacking energy: -364.994
Base-Backbone interact. energy: -0.972
local terms energy: -332.201542
where:
bonds (distance) C4'-P energy: -53.191
bonds (distance) P-C4' energy: -59.439
flat angles C4'-P-C4' energy: -75.178
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -102.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1123.468228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.468228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.468228 (E_RNA)
where:
Base-Base interactions energy: -788.986
where: short stacking energy: -328.419
Base-Backbone interact. energy: -1.822
local terms energy: -332.660546
where:
bonds (distance) C4'-P energy: -64.493
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -69.248
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: -94.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1063.631327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.631327 (E_RNA)
where:
Base-Base interactions energy: -751.121
where: short stacking energy: -314.718
Base-Backbone interact. energy: -0.767
local terms energy: -311.743925
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -55.054
flat angles C4'-P-C4' energy: -64.203
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -95.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1006.616591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.616591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.616591 (E_RNA)
where:
Base-Base interactions energy: -714.426
where: short stacking energy: -311.107
Base-Backbone interact. energy: -1.723
local terms energy: -290.468120
where:
bonds (distance) C4'-P energy: -55.588
bonds (distance) P-C4' energy: -45.003
flat angles C4'-P-C4' energy: -67.760
flat angles P-C4'-P energy: -40.073
tors. eta vs tors. theta energy: -82.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -920.404433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.404433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.404433 (E_RNA)
where:
Base-Base interactions energy: -616.902
where: short stacking energy: -281.155
Base-Backbone interact. energy: -0.922
local terms energy: -302.580563
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -69.244
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -79.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -952.498169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.498169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.498169 (E_RNA)
where:
Base-Base interactions energy: -666.330
where: short stacking energy: -293.946
Base-Backbone interact. energy: -2.182
local terms energy: -283.986139
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -74.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -857.548698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.548698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.548698 (E_RNA)
where:
Base-Base interactions energy: -597.548
where: short stacking energy: -265.570
Base-Backbone interact. energy: -0.926
local terms energy: -259.074798
where:
bonds (distance) C4'-P energy: -44.835
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -52.957
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -69.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -765.635162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.635162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.635162 (E_RNA)
where:
Base-Base interactions energy: -518.015
where: short stacking energy: -224.703
Base-Backbone interact. energy: -1.065
local terms energy: -246.555131
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -59.262
flat angles C4'-P-C4' energy: -60.104
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -52.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -578.081710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.081710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.081710 (E_RNA)
where:
Base-Base interactions energy: -356.461
where: short stacking energy: -174.147
Base-Backbone interact. energy: -0.243
local terms energy: -221.377768
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -54.399
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -501.889915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.889915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.889915 (E_RNA)
where:
Base-Base interactions energy: -303.202
where: short stacking energy: -152.223
Base-Backbone interact. energy: -0.550
local terms energy: -198.137774
where:
bonds (distance) C4'-P energy: -49.590
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1194.819975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.819975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.819975 (E_RNA)
where:
Base-Base interactions energy: -853.553
where: short stacking energy: -360.993
Base-Backbone interact. energy: -0.785
local terms energy: -340.482430
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -62.023
flat angles C4'-P-C4' energy: -73.016
flat angles P-C4'-P energy: -36.368
tors. eta vs tors. theta energy: -105.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1121.908875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.908875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.908875 (E_RNA)
where:
Base-Base interactions energy: -779.048
where: short stacking energy: -334.290
Base-Backbone interact. energy: -1.865
local terms energy: -340.995930
where:
bonds (distance) C4'-P energy: -62.149
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -65.766
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -95.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1068.183586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.183586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.183586 (E_RNA)
where:
Base-Base interactions energy: -749.859
where: short stacking energy: -300.906
Base-Backbone interact. energy: 1.379
local terms energy: -319.703609
where:
bonds (distance) C4'-P energy: -54.378
bonds (distance) P-C4' energy: -67.320
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -90.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1004.097702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.097702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.097702 (E_RNA)
where:
Base-Base interactions energy: -692.607
where: short stacking energy: -310.879
Base-Backbone interact. energy: -0.397
local terms energy: -311.093383
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -57.718
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -90.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -921.321578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.321578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.321578 (E_RNA)
where:
Base-Base interactions energy: -636.474
where: short stacking energy: -274.444
Base-Backbone interact. energy: -1.277
local terms energy: -283.570630
where:
bonds (distance) C4'-P energy: -55.358
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -62.935
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -75.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -932.741951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.741951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.741951 (E_RNA)
where:
Base-Base interactions energy: -652.888
where: short stacking energy: -275.597
Base-Backbone interact. energy: 2.073
local terms energy: -281.926504
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -58.912
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -838.004245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.004245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.004245 (E_RNA)
where:
Base-Base interactions energy: -572.418
where: short stacking energy: -252.443
Base-Backbone interact. energy: 3.042
local terms energy: -268.627896
where:
bonds (distance) C4'-P energy: -50.754
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -48.197
tors. eta vs tors. theta energy: -67.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -734.745234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.745234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.745234 (E_RNA)
where:
Base-Base interactions energy: -493.565
where: short stacking energy: -206.220
Base-Backbone interact. energy: -1.028
local terms energy: -240.151903
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -56.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -622.277611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.277611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.277611 (E_RNA)
where:
Base-Base interactions energy: -420.150
where: short stacking energy: -212.980
Base-Backbone interact. energy: -1.019
local terms energy: -201.108515
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -40.317
flat angles C4'-P-C4' energy: -52.066
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -44.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -549.033648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.033648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.033648 (E_RNA)
where:
Base-Base interactions energy: -340.925
where: short stacking energy: -169.489
Base-Backbone interact. energy: 0.039
local terms energy: -208.148160
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -34.708
tors. eta vs tors. theta energy: -41.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1170.227878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.227878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.227878 (E_RNA)
where:
Base-Base interactions energy: -814.464
where: short stacking energy: -346.835
Base-Backbone interact. energy: -1.314
local terms energy: -354.449031
where:
bonds (distance) C4'-P energy: -69.081
bonds (distance) P-C4' energy: -56.437
flat angles C4'-P-C4' energy: -73.465
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -104.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1092.676756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.676756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.676756 (E_RNA)
where:
Base-Base interactions energy: -753.407
where: short stacking energy: -323.569
Base-Backbone interact. energy: -0.877
local terms energy: -338.392991
where:
bonds (distance) C4'-P energy: -64.159
bonds (distance) P-C4' energy: -62.009
flat angles C4'-P-C4' energy: -69.316
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -95.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1077.917245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.917245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.917245 (E_RNA)
where:
Base-Base interactions energy: -750.220
where: short stacking energy: -313.155
Base-Backbone interact. energy: 4.930
local terms energy: -332.626956
where:
bonds (distance) C4'-P energy: -67.328
bonds (distance) P-C4' energy: -63.898
flat angles C4'-P-C4' energy: -65.038
flat angles P-C4'-P energy: -47.261
tors. eta vs tors. theta energy: -89.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1001.801146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.801146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.801146 (E_RNA)
where:
Base-Base interactions energy: -717.532
where: short stacking energy: -301.971
Base-Backbone interact. energy: -0.372
local terms energy: -283.897571
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -38.563
tors. eta vs tors. theta energy: -82.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -918.515184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.515184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.515184 (E_RNA)
where:
Base-Base interactions energy: -632.935
where: short stacking energy: -284.670
Base-Backbone interact. energy: -1.315
local terms energy: -284.264350
where:
bonds (distance) C4'-P energy: -47.512
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -67.317
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -66.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -935.910378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.910378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.910378 (E_RNA)
where:
Base-Base interactions energy: -636.853
where: short stacking energy: -273.874
Base-Backbone interact. energy: 0.323
local terms energy: -299.379811
where:
bonds (distance) C4'-P energy: -66.070
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -46.543
tors. eta vs tors. theta energy: -73.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -837.742664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.742664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.742664 (E_RNA)
where:
Base-Base interactions energy: -556.239
where: short stacking energy: -235.291
Base-Backbone interact. energy: 1.025
local terms energy: -282.529338
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -57.188
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: -69.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -712.915216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.915216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.915216 (E_RNA)
where:
Base-Base interactions energy: -463.369
where: short stacking energy: -207.792
Base-Backbone interact. energy: -0.692
local terms energy: -248.854369
where:
bonds (distance) C4'-P energy: -43.231
bonds (distance) P-C4' energy: -55.559
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -596.385301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.385301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.385301 (E_RNA)
where:
Base-Base interactions energy: -369.544
where: short stacking energy: -162.197
Base-Backbone interact. energy: -0.058
local terms energy: -226.783338
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -58.928
flat angles C4'-P-C4' energy: -46.280
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -491.348746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.348746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.348746 (E_RNA)
where:
Base-Base interactions energy: -300.482
where: short stacking energy: -138.952
Base-Backbone interact. energy: 0.174
local terms energy: -191.041238
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -50.433
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1183.083413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.083413 (E_RNA)
where:
Base-Base interactions energy: -832.917
where: short stacking energy: -352.503
Base-Backbone interact. energy: -1.552
local terms energy: -348.614649
where:
bonds (distance) C4'-P energy: -63.001
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -76.024
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -106.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1106.140256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.140256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.140256 (E_RNA)
where:
Base-Base interactions energy: -789.268
where: short stacking energy: -344.966
Base-Backbone interact. energy: -1.156
local terms energy: -315.717244
where:
bonds (distance) C4'-P energy: -45.894
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -101.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1061.214593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.214593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.214593 (E_RNA)
where:
Base-Base interactions energy: -763.283
where: short stacking energy: -318.882
Base-Backbone interact. energy: -2.111
local terms energy: -295.820599
where:
bonds (distance) C4'-P energy: -56.285
bonds (distance) P-C4' energy: -55.789
flat angles C4'-P-C4' energy: -63.785
flat angles P-C4'-P energy: -39.318
tors. eta vs tors. theta energy: -80.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1001.586759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.586759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.586759 (E_RNA)
where:
Base-Base interactions energy: -687.737
where: short stacking energy: -302.985
Base-Backbone interact. energy: -1.039
local terms energy: -312.811439
where:
bonds (distance) C4'-P energy: -59.182
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -69.493
flat angles P-C4'-P energy: -43.200
tors. eta vs tors. theta energy: -85.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -924.068765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.068765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.068765 (E_RNA)
where:
Base-Base interactions energy: -642.208
where: short stacking energy: -279.003
Base-Backbone interact. energy: -1.864
local terms energy: -279.996146
where:
bonds (distance) C4'-P energy: -47.515
bonds (distance) P-C4' energy: -60.502
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -75.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -953.309529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.309529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.309529 (E_RNA)
where:
Base-Base interactions energy: -675.461
where: short stacking energy: -283.157
Base-Backbone interact. energy: 0.021
local terms energy: -277.869481
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -65.632
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -80.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -905.132693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.132693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.132693 (E_RNA)
where:
Base-Base interactions energy: -627.497
where: short stacking energy: -290.107
Base-Backbone interact. energy: -0.354
local terms energy: -277.281676
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -79.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -700.553301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.553301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.553301 (E_RNA)
where:
Base-Base interactions energy: -468.906
where: short stacking energy: -185.705
Base-Backbone interact. energy: -2.653
local terms energy: -228.993746
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -56.138
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -34.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -557.991890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.991890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.991890 (E_RNA)
where:
Base-Base interactions energy: -350.826
where: short stacking energy: -163.769
Base-Backbone interact. energy: -0.665
local terms energy: -206.500530
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -45.198
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -27.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -525.335223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.335223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.335223 (E_RNA)
where:
Base-Base interactions energy: -343.356
where: short stacking energy: -165.561
Base-Backbone interact. energy: -1.190
local terms energy: -180.789279
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1185.427496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.427496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.427496 (E_RNA)
where:
Base-Base interactions energy: -839.500
where: short stacking energy: -354.988
Base-Backbone interact. energy: -0.933
local terms energy: -344.994682
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -72.350
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -107.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1104.159276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.159276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.159276 (E_RNA)
where:
Base-Base interactions energy: -781.055
where: short stacking energy: -320.396
Base-Backbone interact. energy: -1.193
local terms energy: -321.910782
where:
bonds (distance) C4'-P energy: -60.403
bonds (distance) P-C4' energy: -58.133
flat angles C4'-P-C4' energy: -58.676
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -99.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1078.457981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.457981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.457981 (E_RNA)
where:
Base-Base interactions energy: -753.664
where: short stacking energy: -313.314
Base-Backbone interact. energy: -0.796
local terms energy: -323.998348
where:
bonds (distance) C4'-P energy: -65.806
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -71.151
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -93.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -979.200588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.200588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.200588 (E_RNA)
where:
Base-Base interactions energy: -655.221
where: short stacking energy: -277.609
Base-Backbone interact. energy: -1.099
local terms energy: -322.881145
where:
bonds (distance) C4'-P energy: -65.991
bonds (distance) P-C4' energy: -64.175
flat angles C4'-P-C4' energy: -67.474
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -77.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -960.101458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.101458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.101458 (E_RNA)
where:
Base-Base interactions energy: -671.641
where: short stacking energy: -281.328
Base-Backbone interact. energy: -0.857
local terms energy: -287.603228
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -53.452
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -913.082444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.082444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.082444 (E_RNA)
where:
Base-Base interactions energy: -620.819
where: short stacking energy: -258.234
Base-Backbone interact. energy: -1.152
local terms energy: -291.111158
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -55.847
flat angles C4'-P-C4' energy: -60.624
flat angles P-C4'-P energy: -41.342
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -885.053499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.053499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.053499 (E_RNA)
where:
Base-Base interactions energy: -619.253
where: short stacking energy: -276.792
Base-Backbone interact. energy: -1.374
local terms energy: -264.426610
where:
bonds (distance) C4'-P energy: -50.065
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -56.866
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -84.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -702.251301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.251301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.251301 (E_RNA)
where:
Base-Base interactions energy: -472.513
where: short stacking energy: -210.529
Base-Backbone interact. energy: -1.576
local terms energy: -228.162532
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -57.926
flat angles C4'-P-C4' energy: -43.408
flat angles P-C4'-P energy: -42.027
tors. eta vs tors. theta energy: -35.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -572.508522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.508522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.508522 (E_RNA)
where:
Base-Base interactions energy: -373.648
where: short stacking energy: -183.538
Base-Backbone interact. energy: 2.973
local terms energy: -201.833362
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -521.757274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.757274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.757274 (E_RNA)
where:
Base-Base interactions energy: -311.805
where: short stacking energy: -162.556
Base-Backbone interact. energy: -0.334
local terms energy: -209.618788
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: -38.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1163.363110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.363110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.363110 (E_RNA)
where:
Base-Base interactions energy: -825.210
where: short stacking energy: -346.351
Base-Backbone interact. energy: 1.910
local terms energy: -340.063284
where:
bonds (distance) C4'-P energy: -59.393
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -77.241
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -94.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1092.980188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.980188 (E_RNA)
where:
Base-Base interactions energy: -776.470
where: short stacking energy: -321.245
Base-Backbone interact. energy: -3.206
local terms energy: -313.304266
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -72.158
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -80.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1068.125835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.125835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.125835 (E_RNA)
where:
Base-Base interactions energy: -753.701
where: short stacking energy: -321.814
Base-Backbone interact. energy: 0.716
local terms energy: -315.140543
where:
bonds (distance) C4'-P energy: -61.942
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -68.652
flat angles P-C4'-P energy: -37.181
tors. eta vs tors. theta energy: -92.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1008.493345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.493345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.493345 (E_RNA)
where:
Base-Base interactions energy: -706.925
where: short stacking energy: -294.552
Base-Backbone interact. energy: -0.782
local terms energy: -300.786128
where:
bonds (distance) C4'-P energy: -49.975
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -83.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -935.965888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.965888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.965888 (E_RNA)
where:
Base-Base interactions energy: -631.665
where: short stacking energy: -260.037
Base-Backbone interact. energy: -0.312
local terms energy: -303.989353
where:
bonds (distance) C4'-P energy: -58.700
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -64.529
flat angles P-C4'-P energy: -39.795
tors. eta vs tors. theta energy: -79.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -904.318213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.318213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.318213 (E_RNA)
where:
Base-Base interactions energy: -621.413
where: short stacking energy: -274.444
Base-Backbone interact. energy: -0.837
local terms energy: -282.068202
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -43.084
tors. eta vs tors. theta energy: -74.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -907.617833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.617833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.617833 (E_RNA)
where:
Base-Base interactions energy: -617.020
where: short stacking energy: -263.193
Base-Backbone interact. energy: -2.058
local terms energy: -288.539979
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -51.895
flat angles C4'-P-C4' energy: -67.331
flat angles P-C4'-P energy: -41.194
tors. eta vs tors. theta energy: -75.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -777.574633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.574633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.574633 (E_RNA)
where:
Base-Base interactions energy: -534.569
where: short stacking energy: -225.313
Base-Backbone interact. energy: -1.331
local terms energy: -241.674784
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -47.688
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: -53.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -535.210522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.210522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.210522 (E_RNA)
where:
Base-Base interactions energy: -337.854
where: short stacking energy: -144.007
Base-Backbone interact. energy: -1.841
local terms energy: -195.515548
where:
bonds (distance) C4'-P energy: -51.066
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -45.667
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -521.463178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.463178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.463178 (E_RNA)
where:
Base-Base interactions energy: -334.156
where: short stacking energy: -159.790
Base-Backbone interact. energy: -1.223
local terms energy: -186.084187
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -51.438
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 41554692
moves confirmed later: 44745115
all moves confirmed: 86299807
percent of confirmed moves: 10.787476
current total energy: -1098.049529
recalc. total energy: -1098.049529
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 41903371
moves confirmed later: 45323600
all moves confirmed: 87226971
percent of confirmed moves: 10.903371
current total energy: -1013.757441
recalc. total energy: -1013.757441
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 61199206
moves confirmed later: 70419159
all moves confirmed: 131618365
percent of confirmed moves: 16.452296
current total energy: -988.787587
recalc. total energy: -988.787587
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 61697915
moves confirmed later: 71233067
all moves confirmed: 132930982
percent of confirmed moves: 16.616373
current total energy: -931.264414
recalc. total energy: -931.264414
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 48256083
moves confirmed later: 53736538
all moves confirmed: 101992621
percent of confirmed moves: 12.749078
current total energy: -847.622945
recalc. total energy: -847.622945
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 50925440
moves confirmed later: 57007771
all moves confirmed: 107933211
percent of confirmed moves: 13.491651
current total energy: -820.557789
recalc. total energy: -820.557789
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 79310743
moves confirmed later: 94236457
all moves confirmed: 173547200
percent of confirmed moves: 21.693400
current total energy: -801.397258
recalc. total energy: -801.397258
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 75889844
moves confirmed later: 89482164
all moves confirmed: 165372008
percent of confirmed moves: 20.671501
current total energy: -751.812241
recalc. total energy: -751.812241
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 67529521
moves confirmed later: 78431969
all moves confirmed: 145961490
percent of confirmed moves: 18.245186
current total energy: -416.087191
recalc. total energy: -416.087191
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 71434286
moves confirmed later: 83737570
all moves confirmed: 155171856
percent of confirmed moves: 19.396482
current total energy: -459.877369
recalc. total energy: -459.877369
out arg RESULTS//1/tRNASec-976176a4_01
Time of doing 8000000 iterations: 14158.623 seconds